Hexahydro-3-methylenebenzofuran-2(3H)-one
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Basic information
- CAS
16822-06-3- Standard SMILES
C=C1C(=O)OC2CCCCC12- InChIKey
JZULHXPIDKRFAY-UHFFFAOYSA-N- Molecular formula
- C9H12O2
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.08372962
Overview
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Names & identifiers
- Preferred name
- Hexahydro-3-methylenebenzofuran-2(3H)-one
- IUPAC
- 3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one
- English name
- hexahydro-3-methylenebenzofuran-2(3H)-one
- Molecular formula
- C9H12O2
- Molecular weight
- 152.19
Names & synonyms
53387-38-5Hexahydro-3-methylenebenzofuran-2(3H)-one16822-06-33-Methylenehexahydro-1-benzofuran-2(3H)-oneEINECS 223-083-7EINECS 240-843-3EINECS 258-510-6NSC2726992(3H)-Benzofuranone, hexahydro-3-methylene-cis-Hexahydro-3-methylenebenzofuran-2(3H)-onetrans-Hexahydro-3-methylenebenzofuran-2(3H)-oneCHEMBL276649
Show more names
SCHEMBL10192292AKOS015905215NSC 272699NSC-272699DB-319638NS000900293-Methylenehexahydro-1-benzofuran-2(3H)-one #
Database identifiers
- CAS
16822-06-3、3727-53-5、53387-38-5- PubChem CID
- 86069
- DTXSID
DTXSID40937462- ChEMBL
CHEMBL276649- EC Number
- 240-843-3、258-510-6
- Nikkaji
- J113.180J
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
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Compound notes
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