1.0
2011-09-21 00:29:47 UTC
2015-10-09 22:31:55 UTC
FDB023425
4-Hydroxy-3-methylbenzoic acid
4-Hydroxy-3-methylbenzoic acid is a normal organic acid identified in urine specimens from a healthy population. (PMID 8087979) [HMDB]
3-Methyl-4-hydroxybenzoate
3-Methyl-4-hydroxybenzoic acid
4-hydroxy-3-methyl-Benzoate
4-hydroxy-3-methyl-Benzoic acid
4-Hydroxy-3-methylbenzoate
4-Hydroxy-3-methylbenzoic acid
4,3-Cresotic acid
C8H8O3
152.1473
152.047344122
4-hydroxy-3-methylbenzoic acid
4-hydroxy-3-methylbenzoic acid
499-76-3
CC1=CC(=CC=C1O)C(O)=O
InChI=1S/C8H8O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3,(H,10,11)
LTFHNKUKQYVHDX-UHFFFAOYSA-N
belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. Hydroxybenzoic acid derivatives are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.
Hydroxybenzoic acid derivatives
Organic compounds
Benzenoids
Benzene and substituted derivatives
Benzoic acids and derivatives
Aromatic homomonocyclic compounds
1-hydroxy-2-unsubstituted benzenoids
Benzoic acids
Benzoyl derivatives
Carboxylic acids
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Organooxygen compounds
Ortho cresols
Toluenes
1-hydroxy-2-unsubstituted benzenoid
Aromatic homomonocyclic compound
Benzoic acid
Benzoyl
Carboxylic acid
Carboxylic acid derivative
Hydrocarbon derivative
Hydroxybenzoic acid
Monocarboxylic acid or derivatives
O-cresol
Organic oxide
Organic oxygen compound
Organooxygen compound
Phenol
Toluene
monohydroxybenzoic acid
toluenes
Solid
logp
1.86
logs
-1.53
solubility
4.52e+00 g/l
logp
1.84
pka_strongest_acidic
4.38
pka_strongest_basic
-6
iupac
4-hydroxy-3-methylbenzoic acid
average_mass
152.1473
mono_mass
152.047344122
smiles
CC1=CC(=CC=C1O)C(O)=O
formula
C8H8O3
inchi
InChI=1S/C8H8O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3,(H,10,11)
inchikey
LTFHNKUKQYVHDX-UHFFFAOYSA-N
polar_surface_area
57.53
refractivity
40.34
polarizability
15.01
rotatable_bond_count
1
acceptor_count
3
donor_count
2
physiological_charge
-1
formal_charge
0
Specdb::NmrTwoD
1942
Specdb::CMs
14230
Specdb::CMs
38810
Specdb::CMs
175115
Specdb::MsIr
2242
Specdb::MsIr
2243
Specdb::MsIr
2244
Specdb::NmrOneD
2007
Specdb::NmrOneD
54482
Specdb::NmrOneD
54483
Specdb::NmrOneD
54484
Specdb::NmrOneD
54485
Specdb::NmrOneD
54486
Specdb::NmrOneD
54487
Specdb::NmrOneD
54488
Specdb::NmrOneD
54489
Specdb::NmrOneD
54490
Specdb::NmrOneD
54491
Specdb::NmrOneD
54492
Specdb::NmrOneD
54493
Specdb::NmrOneD
54494
Specdb::NmrOneD
54495
Specdb::NmrOneD
54496
Specdb::NmrOneD
54497
Specdb::NmrOneD
54498
Specdb::NmrOneD
54499
Specdb::NmrOneD
54500
Specdb::NmrOneD
54501
Specdb::NmrOneD
166615
Specdb::NmrOneD
166616
Specdb::MsMs
2409
Specdb::MsMs
2410
Specdb::MsMs
2411
Specdb::MsMs
297379
Specdb::MsMs
297380
Specdb::MsMs
297381
Specdb::MsMs
338893
Specdb::MsMs
338894
Specdb::MsMs
338895
Specdb::MsMs
2232730
Specdb::MsMs
2233884
Specdb::MsMs
2235072
Specdb::MsMs
2756386
Specdb::MsMs
2756387
Specdb::MsMs
2756388
Specdb::MsMs
2953359
Specdb::MsMs
2953360
Specdb::MsMs
2953361
HMDB04815
#<Reference:0x000055567561eb50>
Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Chicken
Type 1
specific
Gallus gallus
9031
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
specific
Capra aegagrus hircus
9925
Domestic pig
Type 1
specific
Sus scrofa domestica
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus
9984
Greylag goose
Type 1
specific
Anser anser
8843
Guinea hen
Type 1
specific
Numida meleagris
8996
Horse
Type 1
specific
Equus caballus
9796
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus
9871
Ostrich
Type 1
specific
Struthio camelus
8801
Pheasant
Type 1
specific
Phasianus colchicus
9054
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Squab
Type 1
specific
Columba
8931
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
Wild boar
Type 1
specific
Sus scrofa
9823