(2E)-4-(4-Methylphenyl)-4-oxobut-2-enoic acid
Properties
- Molecular formula
- C11H10O3
- Molar mass
- 190.20 g/mol
- Exact mass
- 190.0630 Da
- logP
- 1.82Crippen estimate
- Polar surface area
- 54.4 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 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
20972-36-5SMILES
CC1=CC=C(C=C1)C(=O)/C=C/C(=O)OInChIKey
VNJMEFZKYZHWEO-VOTSOKGWSA-NInChI
InChI=1S/C11H10O3/c1-8-2-4-9(5-3-8)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
- 3-(4-Methylbenzoyl)acrylic acid
Work with (2E)-4-(4-Methylphenyl)-4-oxobut-2-enoic acid
Similar compounds
4-Oxo-4-phenyl-2-butenoic acid583-06-266 % similar
(2E)-4-(4-Chlorophenyl)-4-oxo-2-butenoic acid6269-33-665 % similar
3-(4-Methoxybenzoyl)acrylic acid5711-41-164 % similar
4-Methylcinnamic acid1866-39-364 % similar
(2E)-4-(3,4-Dimethoxyphenyl)-4-oxo-2-butenoic acid80937-23-155 % similar
1-(4-Methylphenyl)-3-(2-thienyl)-2-propen-1-one6028-89-349 % similar
p-Toluic acid99-94-548 % similar
p-Phenylenediacrylic acid16323-43-645 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.