2(4H)-Benzofuranone, 7a-chloro-5,6,7,7a-tetrahydro-3-methyl-
Basic information
- CAS
591231-54-8- Standard SMILES
CC1=C2CCCCC2(Cl)OC1=O- InChIKey
NTXKFFPBINGYQX-UHFFFAOYSA-N- Molecular formula
- C9H11ClO2
- Average molar mass
- 186.63 g/mol
- Monoisotopic mass
- 186.0447573
Names & identifiers
- Preferred name
- 2(4H)-Benzofuranone, 7a-chloro-5,6,7,7a-tetrahydro-3-methyl-
- IUPAC
- 7a-chloro-3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-one
Names & synonyms
591231-54-82(4H)-Benzofuranone, 7a-chloro-5,6,7,7a-tetrahydro-3-methyl-DTXSID304713007a-Chloro-3-methyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one
Database identifiers
- CAS
591231-54-8- PubChem CID
- 11735596
- DTXSID
DTXSID30471300- Nikkaji
- J1.914.480A
Properties
Computed structural properties
- XLogP
- 2
- 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
- 270
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Compound notes
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