7a-Hydroxy-3-methyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one
Basic information
- CAS
15210-14-7- Standard SMILES
CC1=C2CCCCC2(O)OC1=O- InChIKey
FDOKOSVBJIGECW-UHFFFAOYSA-N- Molecular formula
- C9H12O3
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.07864424
Names & identifiers
- Preferred name
- 7a-Hydroxy-3-methyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one
- IUPAC
- 7a-hydroxy-3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-one
Names & synonyms
15210-14-7DTXSID603205747a-Hydroxy-3-methyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-oneRefChem:311321DTXCID40271696NSC361587NSC-361587
Database identifiers
- CAS
15210-14-7- PubChem CID
- 338525
- DTXSID
DTXSID60320574- Nikkaji
- J1.914.479H
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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