trans-3-(4-Methylbenzoyl)acrylic acid
Basic information
- CAS
24849-45-4- Standard SMILES
Cc1ccc(C(=O)C=CC(=O)O)cc1- InChIKey
VNJMEFZKYZHWEO-UHFFFAOYSA-N- Molecular formula
- C11H10O3
- Average molar mass
- 190.19 g/mol
- Monoisotopic mass
- 190.06299418
Names & identifiers
- Preferred name
- trans-3-(4-Methylbenzoyl)acrylic acid
- IUPAC
- 4-(4-methylphenyl)-4-oxobut-2-enoic acid
Names & synonyms
trans-3-(4-Methylbenzoyl)acrylic acid4-(4-methylphenyl)-4-oxobut-2-enoic acid4-oxo-4-(p-tolyl)but-2-enoic acid3-(4-toluoyl)acrylic acidSCHEMBL711571VNJMEFZKYZHWEO-UHFFFAOYSA-NAKOS01727934924849-45-4NS00016961(E)-4-(4-methylphenyl)-4-oxo-2-butenoic acid
Database identifiers
- CAS
24849-45-4- PubChem CID
- 691105
- EC Number
- 109-591-0
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 247
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
1 records
Compound notes
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