1.0
2011-09-21 00:22:56 UTC
2019-11-26 03:21:07 UTC
FDB022991
3-Methylsalicylic acid
3-Cresotinic acid is a salicylic acid derivative compound with marked fibrinolytic activity in human plasma by activating its fibrinolytic system. (PMID 6040385) [HMDB]
2-Hydroxy-3-methyl-benzoate
2-Hydroxy-3-methyl-benzoic acid
2-Hydroxy-3-methylbenzoate
2-Hydroxy-3-methylbenzoic acid
2-Hydroxy-m-toluate
2-Hydroxy-m-toluic acid
2,3-Cresotate
2,3-Cresotic acid
2,3-Cresotinate
2,3-Cresotinic acid
3-Cresotinate
3-Cresotinic acid
3-Methyl-2-hydroxybenzoate
3-Methyl-2-hydroxybenzoic acid
3-Methylsalicylate
3-Methylsalicylic acid
3-Methylsalicylsaeure
3-MS
Acide hydroxytoluique
Acido hidroxitoluico
Acidum hydroxytoluicum
b-Cresotinate
b-Cresotinic acid
beta-Cresotinate
beta-Cresotinic acid
Cresotate
Cresotic acid
Cresotinate
Cresotinic acid
Homosalicylate
Homosalicylic acid
Hydroxytoluate
Hydroxytoluic acid
Hydroxytoluylsaeure
O-Cresotate
o-Cresotic acid
O-Cresotinate
o-Cresotinic acid
O-Homosalicylate
o-Homosalicylic acid
β-cresotinate
β-cresotinic acid
C8H8O3
152.1473
152.047344122
2-hydroxy-3-methylbenzoic acid
cresotic acid
83-40-9
CC1=C(O)C(=CC=C1)C(O)=O
InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11)
WHSXTWFYRGOBGO-UHFFFAOYSA-N
belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids.
Salicylic acids
Organic compounds
Benzenoids
Benzene and substituted derivatives
Benzoic acids and derivatives
Aromatic homomonocyclic compounds
1-hydroxy-4-unsubstituted benzenoids
Benzoic acids
Benzoyl derivatives
Carboxylic acids
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Organooxygen compounds
Ortho cresols
Toluenes
Vinylogous acids
1-hydroxy-4-unsubstituted benzenoid
Aromatic homomonocyclic compound
Benzoic acid
Benzoyl
Carboxylic acid
Carboxylic acid derivative
Hydrocarbon derivative
Monocarboxylic acid or derivatives
O-cresol
Organic oxide
Organic oxygen compound
Organooxygen compound
Phenol
Salicylic acid
Toluene
Vinylogous acid
monohydroxybenzoic acid
Solid
logp
2.38
logs
-1.72
solubility
2.88e+00 g/l
logp
2.49
pka_strongest_acidic
2.8
pka_strongest_basic
-6.3
iupac
2-hydroxy-3-methylbenzoic acid
average_mass
152.1473
mono_mass
152.047344122
smiles
CC1=C(O)C(=CC=C1)C(O)=O
formula
C8H8O3
inchi
InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11)
inchikey
WHSXTWFYRGOBGO-UHFFFAOYSA-N
polar_surface_area
57.53
refractivity
40.34
polarizability
14.89
rotatable_bond_count
1
acceptor_count
3
donor_count
2
physiological_charge
-1
formal_charge
0
Specdb::NmrTwoD
1822
Specdb::CMs
18584
Specdb::CMs
29590
Specdb::CMs
38405
Specdb::CMs
99775
Specdb::CMs
162962
Specdb::MsIr
1759
Specdb::MsIr
1760
Specdb::MsIr
1761
Specdb::NmrOneD
1885
Specdb::NmrOneD
122418
Specdb::NmrOneD
122419
Specdb::NmrOneD
122420
Specdb::NmrOneD
122421
Specdb::NmrOneD
122422
Specdb::NmrOneD
122423
Specdb::NmrOneD
122424
Specdb::NmrOneD
122425
Specdb::NmrOneD
122426
Specdb::NmrOneD
122427
Specdb::NmrOneD
122428
Specdb::NmrOneD
122429
Specdb::NmrOneD
122430
Specdb::NmrOneD
122431
Specdb::NmrOneD
122432
Specdb::NmrOneD
122433
Specdb::NmrOneD
122434
Specdb::NmrOneD
122435
Specdb::NmrOneD
122436
Specdb::NmrOneD
122437
Specdb::MsMs
2092
Specdb::MsMs
2093
Specdb::MsMs
2094
Specdb::MsMs
5776
Specdb::MsMs
307225
Specdb::MsMs
307226
Specdb::MsMs
307227
Specdb::MsMs
351115
Specdb::MsMs
351116
Specdb::MsMs
351117
Specdb::MsMs
2229493
Specdb::MsMs
2230001
Specdb::MsMs
2231927
Specdb::MsMs
2232251
Specdb::MsMs
2234297
Specdb::MsMs
2234671
Specdb::MsMs
2844890
Specdb::MsMs
2844891
Specdb::MsMs
2844892
Specdb::MsMs
2860753
Specdb::MsMs
2860754
Specdb::MsMs
2860755
HMDB02390
#<Reference:0x000055567634c0e8>
Milk (Cow)
Type 2
specific