3-Indoleacrylic acid
Properties
- Molecular formula
- C11H9NO2
- Molar mass
- 187.20 g/mol
- Exact mass
- 187.0633 Da
- Melting point
- 195–196 °C
- logP
- 2.27Crippen estimate
- Polar surface area
- 53.1 Ų
- H-bond donors / acceptors
- 2 / 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 42 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
29953-71-7SMILES
O=C(O)/C=C/c1c[nH]c2ccccc12InChIKey
PLVPPLCLBIEYEA-AATRIKPKSA-NInChI
InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- trans-3-Indoleacrylic acid
- 2-Propenoic acid, 3-(1H-indol-3-yl)-, (2E)-
- Indole-3-acrylic acid, (E)-
- 2-Propenoic acid, 3-(1H-indol-3-yl)-, (E)-
- (2E)-3-(1H-Indol-3-yl)-2-propenoic acid
- trans-β-Indoleacrylic acid
- (E)-3-(1H-Indol-3-yl)-2-propenoic acid
- (E)-3-(1H-Indol-3-yl)prop-2-enoic acid
Work with 3-Indoleacrylic 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-(1-Naphthalenyl)-2-propenoic acid13026-12-556 % similar
Indole-3-carbaldehyde487-89-851 % similar
2-Formylcinnamic acid130036-17-851 % similar
o-Coumaric acid583-17-551 % similar
O-Coumaric acid614-60-851 % similar
2-Bromocinnamic acid7345-79-151 % similar
3-(2-Bromophenyl)-2-propenoic acid7499-56-151 % similar
2-Methylcinnamic acid2373-76-450 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds