(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
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
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
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds