1.0
2010-04-08 22:04:43 UTC
2020-02-24 19:10:15 UTC
FDB000823
2,4,6-Trihydroxybenzoic acid
Isolated from onion skin (Allium species). 2,4,6-Trihydroxybenzoic acid is found in garden onion and onion-family vegetables.
2,4, 6-Trihydroxy benzoic acid
2,4,6-Trichydroxybenzoic acid
2,4,6-Trihydroxy benzoic acid
2,4,6-Trihydroxy-benzoic acid
2,4,6-Trihydroxybenzene carboxylic acid
Phloroglucincarboxylic acid
Phloroglucinic acid
Phloroglucinol carboxylic acid
Phloroglucinolcarboxylic acid
C7H6O5
170.1195
170.021523302
2,4,6-trihydroxybenzoic acid
2,4,6-trihydroxybenzoic acid
83-30-7
OC(=O)C1=C(O)C=C(O)C=C1O
InChI=1S/C7H6O5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H,(H,11,12)
IBHWREHFNDMRPR-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
1-hydroxy-4-unsubstituted benzenoids
Benzoic acids
Benzoyl derivatives
Carboxylic acids
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Phloroglucinols and derivatives
Polyols
Salicylic acids
Vinylogous acids
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Aromatic homomonocyclic compound
Benzenetriol
Benzoic acid
Benzoyl
Carboxylic acid
Carboxylic acid derivative
Hydrocarbon derivative
Hydroxybenzoic acid
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
Phenol
Phloroglucinol derivative
Polyol
Salicylic acid
Salicylic acid or derivatives
Trihydroxybenzoic acid
Vinylogous acid
logp
1.12
logs
-1.46
solubility
5.97e+00 g/l
melting_point
Mp 207-210 dec. (monohydrate)
logp
2.02
pka_strongest_acidic
1.83
pka_strongest_basic
-5.5
iupac
2,4,6-trihydroxybenzoic acid
average_mass
170.1195
mono_mass
170.021523302
smiles
OC(=O)C1=C(O)C=C(O)C=C1O
formula
C7H6O5
inchi
InChI=1S/C7H6O5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H,(H,11,12)
inchikey
IBHWREHFNDMRPR-UHFFFAOYSA-N
polar_surface_area
97.99
refractivity
39.26
polarizability
14.66
rotatable_bond_count
1
acceptor_count
5
donor_count
4
physiological_charge
-1
formal_charge
0
Specdb::MsIr
3537
Specdb::MsIr
3538
Specdb::MsIr
3539
Specdb::NmrOneD
15902
Specdb::NmrOneD
15903
Specdb::NmrOneD
15904
Specdb::NmrOneD
15905
Specdb::NmrOneD
15906
Specdb::NmrOneD
15907
Specdb::NmrOneD
15908
Specdb::NmrOneD
15909
Specdb::NmrOneD
15910
Specdb::NmrOneD
15911
Specdb::NmrOneD
15912
Specdb::NmrOneD
15913
Specdb::NmrOneD
15914
Specdb::NmrOneD
15915
Specdb::NmrOneD
15916
Specdb::NmrOneD
15917
Specdb::NmrOneD
15918
Specdb::NmrOneD
15919
Specdb::NmrOneD
15920
Specdb::NmrOneD
15921
Specdb::MsMs
9554
Specdb::MsMs
9555
Specdb::MsMs
9556
Specdb::MsMs
16226
Specdb::MsMs
16227
Specdb::MsMs
16228
Specdb::MsMs
2741917
Specdb::MsMs
2741918
Specdb::MsMs
2741919
Specdb::MsMs
2940824
Specdb::MsMs
2940825
Specdb::MsMs
2940826
Specdb::CMs
5865
Specdb::CMs
41491
Specdb::CMs
167954
HMDB29649
#<Reference:0x00005556759bee90>
Garden onion
Type 1
specific
Allium cepa
4679
10.0
10.0
10.0
mg/100 g
Garden onion (var.)
Type 1
specific
Allium cepa var. cepa
4679
Green onion
Type 1
Onion-family vegetables
Unknown
generic
Red onion
Type 1
Welsh onion
Type 1
specific
Allium fistulosum
35875