1,3-Benzodioxole-5-propanoic acid
Properties
- Molecular formula
- C10H10O4
- Molar mass
- 194.19 g/mol
- Exact mass
- 194.0579 Da
- Melting point
- 81–85 °C
- logP
- 1.43Crippen estimate
- Polar surface area
- 55.8 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 3
Hazards
Warning
- H302 Harmful if swallowed88.6% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
2815-95-4SMILES
O=C(O)CCc1ccc2c(c1)OCO2InChIKey
UIYJGLLTSVRSBM-UHFFFAOYSA-NInChI
InChI=1S/C10H10O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1,3,5H,2,4,6H2,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- 3,4-Methylenedioxydihydrocinnamic acid
- 3-[Benzo[1,3]dioxol-5-yl]propionic acid
- 3-(Benzodioxol-5-yl)propionic acid
- 3-(Benzo[d][1,3]dioxol-5-yl)propanoic acid
- 3-(1,3-Benzodioxol-5-yl)propanoic acid
- 3-(1,3-Dioxaindan-5-yl)propanoic acid
- Hydrocinnamic acid, 3,4-(methylenedioxy)-
- 3-(3,4-Methylenedioxyphenyl)propionic acid
- 3,4-(Methylenedioxy)hydrocinnamic acid
- 1,3-Benzodioxole-5-propionic acid
- NSC 55524
Work with 1,3-Benzodioxole-5-propanoic acid
Similar compounds
1,3-Benzodioxole-5-acetic acid2861-28-171 % similar
3-(3,4-Dimethoxyphenyl)propionic acid2107-70-266 % similar
Dulcinyl55418-52-563 % similar
1,4-Benzenedipropanoic acid4251-21-261 % similar
Dihydroferulic acid1135-23-557 % similar
Dihydrocaffeic acid1078-61-155 % similar
3,4-Difluorohydrocinnamic acid161712-75-054 % similar
3-(3,4-Dichlorophenyl)propionic acid25173-68-654 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.