[Synonyms]
Hydrocaffeic acid
Dihydrocaffeic acid
2,3-Dhppa
3,4-Dihydroxyhydrocinnamic acid
2,3-Dihydroxyphenylpropanoate
2,3-Dihydroxyphenylpropionic acid
3,4-Dihydroxyphenylpropionic acid
3,4-Dihydroxybenzenepropanoic acid
3-(2,3-Dihydroxyphenyl)propanoate
CHEBI:18136
[Structure]
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: 3-(2,3-dihydroxyphenyl)propanoic acid
Canonical SMILES: C1=CC(=C(C(=C1)O)O)CCC(=O)O
InChI: InChI=1/C9H10O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,10,13H,4-5H2,(H,
11,12)/f/h11H
Hydrocaffeic acid
Dihydrocaffeic acid
2,3-Dhppa
3,4-Dihydroxyhydrocinnamic acid
2,3-Dihydroxyphenylpropanoate
2,3-Dihydroxyphenylpropionic acid
3,4-Dihydroxyphenylpropionic acid
3,4-Dihydroxybenzenepropanoic acid
3-(2,3-Dihydroxyphenyl)propanoate
CHEBI:18136
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 182.1733 [g/mol] |
| Molecular Formula | C9H10O4 |
| XLogP | 1.2 |
| H-Bond Donor | 3 |
| H-Bond Acceptor | 4 |
| Rotatable Bond Count | 3 |
| Tautomer Count | 53 |
| Exact Mass | 182.057909 |
| MonoIsotopic Mass | 182.057909 |
| Topological Polar Surface Area | 77.8 |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 181 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 0 |
| Undefined Atom StereoCenter Count | 0 |
| Defined Bond StereoCenter Count | 0 |
| Undefined Bond StereoCenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
[ Descriptors Computed from Structure]
IUPAC Name: 3-(2,3-dihydroxyphenyl)propanoic acid
Canonical SMILES: C1=CC(=C(C(=C1)O)O)CCC(=O)O
InChI: InChI=1/C9H10O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,10,13H,4-5H2,(H,
11,12)/f/h11H
