Basic information
- CAS
94291-91-5- Standard SMILES
CC1(Cl)C(=O)OC2CCCCC21- InChIKey
CBIKLWCRTLLKFI-UHFFFAOYSA-N- Molecular formula
- C9H13ClO2
- Average molar mass
- 188.65 g/mol
- Monoisotopic mass
- 188.0604073
Names & identifiers
- Preferred name
- 3-Chlorohexahydro-3-methyl-3H-benzofuran-2-one
- IUPAC
- 3-chloro-3-methyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one
- English name
- 3-chlorohexahydro-3-methyl-3H-benzofuran-2-one
- Molecular formula
- C9H13ClO2
- Molecular weight
- 188.65132
Names & synonyms
94291-91-53-Chlorohexahydro-3-methyl-3H-benzofuran-2-oneEINECS 304-919-0DTXSID70915713CBIKLWCRTLLKFI-UHFFFAOYSA-NNS000666673-Chloro-3-methylhexahydro-1-benzofuran-2(3H)-oneReaxys ID: 15658753-Chlorohexahydro-3-methyl-2(3H)-benzofuranone
Database identifiers
- CAS
94291-91-5- PubChem CID
- 44153167
- DTXSID
DTXSID70915713- EC Number
- 304-919-0
- Nikkaji
- J326.454H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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