Basic information
- CAS
3645-83-8- Standard SMILES
O=C(O)CCC1(Cc2ccccc2)CCCC1=O- InChIKey
IYXKLVYOMAMWSK-UHFFFAOYSA-N- Molecular formula
- C15H18O3
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.12559443
Names & identifiers
- Preferred name
- 3-(1-Benzyl-2-oxocyclopentyl)propanoic acid
- IUPAC
- 3-(1-benzyl-2-oxocyclopentyl)propanoic acid
- English name
- 3-(1-benzyl-2-oxo-cyclopentyl)propanoic acid
- Molecular formula
- C15H18O3
- Molecular weight
- 0
Names & synonyms
3645-83-83-(1-benzyl-2-oxocyclopentyl)propanoic acidDTXSID40957781RefChem:1066376DTXCID9013857091-Benzyl-2-oxocyclopentanepropionic acidBRN 2652126Cyclopentanepropionic acid, 1-benzyl-2-oxo-Acido 2-benzilciclopentanon-2-beta-propionico [Italian]Acido 2-benzilciclopentanon-2-beta-propionico3-(1-BENZYL-2-OXO-CYCLOPENTYL)PROPANOIC ACID
Database identifiers
- CAS
3645-83-8- PubChem CID
- 199030
- DTXSID
DTXSID40957781- Nikkaji
- J77.970I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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