Basic information
- CAS
90722-42-2- Standard SMILES
O=C(CCCl)OC1CCCCC1- InChIKey
GPKFWQIRHJGZKV-UHFFFAOYSA-N- Molecular formula
- C9H15ClO2
- Average molar mass
- 190.67 g/mol
- Monoisotopic mass
- 190.0760574
Names & identifiers
- Preferred name
- Cyclohexyl 3-chloropropanoate
- IUPAC
- cyclohexyl 3-chloropropanoate
Names & synonyms
cyclohexyl 3-chloropropanoate90722-42-2DTXSID70323637RefChem:335681DTXCID50274754NSC404504SCHEMBL1365510NSC-404504
Database identifiers
- CAS
90722-42-2- PubChem CID
- 346309
- DTXSID
DTXSID70323637
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 141
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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