cis-3-(4-Ethylbenzoyl)cyclopentane-1-carboxylicacid
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Basic information
- CAS
732252-55-0- Standard SMILES
CCc1ccc(C(=O)[C@@H]2CC[C@H](C(=O)O)C2)cc1- InChIKey
XSRSDDKMGNGPAJ-OLZOCXBDSA-N- Molecular formula
- C15H18O3
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.12559443
Names & identifiers
- Preferred name
- cis-3-(4-Ethylbenzoyl)cyclopentane-1-carboxylicacid
- IUPAC
- cis-(1S,3R)-3-(4-ethylbenzoyl)cyclopentane-1-carboxylic acid
- English name
- CIS-3-(4-ETHYLBENZOYL)CYCLOPENTANE-1-CARBOXYLIC ACID
- Molecular formula
- C15H18O3
- Molecular weight
- 246.3
Names & synonyms
CIS-3-(4-ETHYLBENZOYL)CYCLOPENTANE-1-CARBOXYLICACIDSCHEMBL2993005DB-208405(1S,3R)-3-(4-ethylbenzoyl)cyclopentanecarboxylic acidCIS-3-(4-ETHYLBENZOYL)CYCLOPENTANE-1-CARBOXYLIC ACID(1R,3S)-3-(4-ethylbenzoyl)cyclopentane-1-carboxylic acidCyclopentanecarboxylic acid, 3-(4-ethylbenzoyl)-, (1R,3S)-rel-
Database identifiers
- CAS
732252-55-0- PubChem CID
- 53471268
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Boiling point
- 431.9 · 431.9±45.0 °C(Predicted)
- Density
- 1.168 · 1.168±0.06 g/cm3(Predicted)
- pka
- 4.49 · 4.49±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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