(4-Methylcyclohexyl) 2-chloropropanoate
Basic information
- CAS
90977-00-7- Standard SMILES
CC1CCC(OC(=O)C(C)Cl)CC1- InChIKey
DRTNJDOUOGLMMX-UHFFFAOYSA-N- Molecular formula
- C10H17ClO2
- Average molar mass
- 204.69 g/mol
- Monoisotopic mass
- 204.0917075
Names & identifiers
- Preferred name
- (4-Methylcyclohexyl) 2-chloropropanoate
- IUPAC
- (4-methylcyclohexyl) 2-chloropropanoate
Names & synonyms
90977-00-7(4-methylcyclohexyl) 2-chloropropanoateNSC404484DTXSID103236314-Methylcyclohexyl 2-chloropropanoateNSC-404484
Database identifiers
- CAS
90977-00-7- PubChem CID
- 346290
- DTXSID
DTXSID10323631
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
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Related reactions
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Compound notes
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