3-Methylcinnamic acid
Properties
- Molecular formula
- C10H10O2
- Molar mass
- 162.19 g/mol
- Exact mass
- 162.0681 Da
- logP
- 2.09Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
- Double bonds
- EE/Z, in SMILES order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 39 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
14473-89-3SMILES
CC1=CC(=CC=C1)/C=C/C(=O)OInChIKey
JZINNAKNHHQBOS-AATRIKPKSA-NInChI
InChI=1S/C10H10O2/c1-8-3-2-4-9(7-8)5-6-10(11)12/h2-7H,1H3,(H,11,12)/b6-5+Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Methylcinnamic acid
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
(2E)-3-(3-Fluorophenyl)-2-propenoic acid20595-30-666 % similar
3-(3-Fluorophenyl)-2-propenoic acid458-46-866 % similar
Cinnamic acid140-10-366 % similar
Cinnamic acid621-82-966 % similar
4-Methylcinnamic acid1866-39-365 % similar
(2E)-3-(3-Chlorophenyl)-2-propenoic acid14473-90-664 % similar
trans-3-Hydroxycinnamic acid14755-02-364 % similar
3-(3-Chlorophenyl)-2-propenoic acid1866-38-264 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.