Basic information
- CAS
55078-30-3- Standard SMILES
CC(=Cc1ccc(Cl)cc1)C(C)(C)C(=O)O- InChIKey
ZUJSAJQUBXASPX-UHFFFAOYSA-N- Molecular formula
- C13H15ClO2
- Average molar mass
- 238.71 g/mol
- Monoisotopic mass
- 238.0760574
Names & identifiers
- Preferred name
- 4-(4-Chlorophenyl)-2,2,3-trimethylbut-3-enoic acid
- IUPAC
- 4-(4-chlorophenyl)-2,2,3-trimethylbut-3-enoic acid
Names & synonyms
55078-30-34-(4-chlorophenyl)-2,2,3-trimethylbut-3-enoic acidNCIStruc1_000797NCIStruc2_000768DTXSID503164664-(4-CHLOROPHENYL)-2,2,3-TRIMETHYL-BUT-3-ENOIC ACIDNCI60_002565DB-3050384-(4-chlorophenyl)-2,2,3-trimethyl-3-butenoic acid
Database identifiers
- CAS
55078-30-3- PubChem CID
- 327673
- DTXSID
DTXSID50316466
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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