3-Methoxycinnamic acid
Properties
- Molecular formula
- C10H10O3
- Molar mass
- 178.19 g/mol
- Exact mass
- 178.0630 Da
- logP
- 1.79Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 3
- 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 irritation95.5% of notifiers
Aggregated from 44 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
17570-26-2SMILES
COC1=CC=CC(=C1)/C=C/C(=O)OInChIKey
LZPNXAULYJPXEH-AATRIKPKSA-NInChI
InChI=1S/C10H10O3/c1-13-9-4-2-3-8(7-9)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-Methoxycinnamic 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
3-(3,5-Dimethoxyphenyl)-2-propenoic acid16909-11-872 % similar
4-Methoxycinnamic acid830-09-168 % similar
4-Methoxycinnamic acid943-89-568 % similar
3-(Trifluoromethoxy)cinnamic acid168833-80-564 % similar
3,4-Dimethoxycinnamic acid14737-89-463 % similar
3′,4′-Dimethoxycinnamic acid2316-26-963 % similar
3-Methylcinnamic acid14473-89-362 % similar
3-(3-Methylphenyl)-2-propenoic acid3029-79-662 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
trans-2-Methoxycinnamic acid1011-54-7
1-[4-(Acetyloxy)phenyl]ethanone13031-43-1
Ethyl benzoylformate1603-79-8
5-(2-Furyl)cyclohexane-1,3-dione1774-11-4
Methyl 4-hydroxycinnamate19367-38-5
3-Benzoylpropionic acid2051-95-8
2-(Acetyloxy)-1-phenylethanone2243-35-8
3-(Oxiran-2-ylmethoxy)benzaldehyde22590-64-3