Cyclohexanepropionic acid, 1-(p-chlorobenzyl)-2-oxo-
Basic information
- CAS
1770-35-0- Standard SMILES
O=C(O)CCC1(Cc2ccc(Cl)cc2)CCCCC1=O- InChIKey
ZMIMBMNDYGVAFX-UHFFFAOYSA-N- Molecular formula
- C16H19ClO3
- Average molar mass
- 294.77 g/mol
- Monoisotopic mass
- 294.1022722
Names & identifiers
- Preferred name
- Cyclohexanepropionic acid, 1-(p-chlorobenzyl)-2-oxo-
- IUPAC
- 3-[1-[(4-chlorophenyl)methyl]-2-oxocyclohexyl]propanoic acid
- English name
- 3-[1-[(4-chlorophenyl)methyl]-2-oxo-cyclohexyl]propanoic acid
- Molecular formula
- C16H19ClO3
- Molecular weight
- 0
Names & synonyms
1770-35-0BRN 28136991-(p-Chlorobenzyl)-2-oxocyclohexanepropionic acidCyclohexanepropionic acid, 1-(p-chlorobenzyl)-2-oxo-Acido 2-(p-clorobenzil)cicloessanon-2-beta-propionico [Italian]Acido 2-(p-clorobenzil)cicloessanon-2-beta-propionicoRefChem:3354133-[1-[(4-chlorophenyl)methyl]-2-oxocyclohexyl]propanoic acid3-[1-[(4-CHLOROPHENYL)METHYL]-2-OXO-CYCLOHEXYL]PROPANOIC ACID3-{1-[(4-CHLOROPHENYL)METHYL]-2-OXOCYCLOHEXYL}PROPANOIC ACIDDTXSID50938884
Database identifiers
- CAS
1770-35-0- PubChem CID
- 120908
- DTXSID
DTXSID50938884- Nikkaji
- J75.425K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…