3-(4-Methoxybenzoyl)acrylic acid
Properties
- Molecular formula
- C11H10O4
- Molar mass
- 206.20 g/mol
- Exact mass
- 206.0579 Da
- logP
- 1.52Crippen estimate
- Polar surface area
- 63.6 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 4
- 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 43 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
5711-41-1SMILES
COC1=CC=C(C=C1)C(=O)/C=C/C(=O)OInChIKey
WORYXBDHTBWLLL-VOTSOKGWSA-NInChI
InChI=1S/C11H10O4/c1-15-9-4-2-8(3-5-9)10(12)6-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-6+Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- trans-3-(4-Methoxybenzoyl)acrylic acid
Work with 3-(4-Methoxybenzoyl)acrylic acid
Similar compounds
(2E)-4-(3,4-Dimethoxyphenyl)-4-oxo-2-butenoic acid80937-23-167 % similar
4-Methoxycinnamic acid830-09-167 % similar
4-Methoxycinnamic acid943-89-567 % similar
(2E)-4-(4-Methylphenyl)-4-oxobut-2-enoic acid20972-36-564 % similar
4,4′-Dimethoxychalcone2373-89-964 % similar
4-Oxo-4-phenyl-2-butenoic acid583-06-260 % similar
(2E)-4-(4-Chlorophenyl)-4-oxo-2-butenoic acid6269-33-659 % similar
4′-Methoxychalcone959-23-959 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.