Dihydrocaffeic acid
Properties
- Molecular formula
- C9H10O4
- Molar mass
- 182.18 g/mol
- Exact mass
- 182.0579 Da
- Melting point
- 139 °C
- logP
- 1.11Crippen estimate
- Polar surface area
- 77.8 Ų
- H-bond donors / acceptors
- 3 / 3
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1078-61-1SMILES
O=C(O)CCc1ccc(O)c(O)c1InChIKey
DZAUWHJDUNRCTF-UHFFFAOYSA-NInChI
InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
15 names · show all
- Benzenepropanoic acid, 3,4-dihydroxy-
- Hydrocinnamic acid, 3,4-dihydroxy-
- 3,4-Dihydroxybenzenepropanoic acid
- Hydrocaffeic acid
- 3,4-Dihydroxy-β-phenylpropionic acid
- 3,4-Dihydroxyphenylpropionic acid
- 3-(3,4-Dihydroxyphenyl)propionic acid
- 3,4-Dihydroxyhydrocinnamic acid
- 3,4-Dihydroxybenzenepropionic acid
- 3,4-Dihydroxydihydrocinnamic acid
- 3-(3,4-Dihydroxyphenyl)propanoic acid
- NSC 407275
- NSC 624007
- STBB 8922V
- DHC
Work with Dihydrocaffeic acid
Similar compounds
3,4-Dihydroxyphenylacetic acid102-32-969 % similar
1,4-Benzenedipropanoic acid4251-21-268 % similar
Dihydroferulic acid1135-23-566 % similar
Phloretic acid501-97-363 % similar
3-(P-Tolyl)propionic acid1505-50-661 % similar
3,4-Difluorohydrocinnamic acid161712-75-058 % similar
3-(3,4-Dichlorophenyl)propionic acid25173-68-658 % similar
3-(3'-Hydroxyphenyl)propionic acid621-54-558 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.