Basic information
- CAS
91495-67-9- Standard SMILES
C/C(=C\c1ccc(C)cc1)CC(=O)O- InChIKey
SKZBKYQERACPLC-JXMROGBWSA-N- Molecular formula
- C12H14O2
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.09937969
Names & identifiers
- Preferred name
- 3-Butenoic acid, 3-methyl-4-p-tolyl-
- IUPAC
- (E)-3-methyl-4-(4-methylphenyl)but-3-enoic acid
Names & synonyms
3-BUTENOIC ACID, 3-METHYL-4-p-TOLYL-91495-67-9RefChem:10674863-Methyl-4-p-tolyl-3-butenoic acidBRN 2576143
Database identifiers
- CAS
91495-67-9- PubChem CID
- 6435501
- Nikkaji
- J70.097E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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