2H-Furo(2,3-h)-1-benzopyran-2-one, 4,8-dimethyl-7-(hydroxymethyl)-
Basic information
- CAS
75663-40-0- Standard SMILES
Cc1oc2ccc3c(C)cc(=O)oc3c2c1CO- InChIKey
DTBIDLAVTVPMJJ-UHFFFAOYSA-N- Molecular formula
- C14H12O4
- Average molar mass
- 244.24 g/mol
- Monoisotopic mass
- 244.07355886
Names & identifiers
- Preferred name
- 2H-Furo(2,3-h)-1-benzopyran-2-one, 4,8-dimethyl-7-(hydroxymethyl)-
- IUPAC
- 9-(hydroxymethyl)-4,8-dimethylfuro[2,3-h]chromen-2-one
Names & synonyms
2H-Furo(2,3-h)-1-benzopyran-2-one, 4,8-dimethyl-7-(hydroxymethyl)-75663-40-0BRN 55596904,5'-Dimethyl-4'-hydroxymethylangelicin4,8-Dimethyl-7-(hydroxymethyl)-2H-furo(2,3-h)-1-benzopyran-2-oneCHEMBL51657DTXSID302265749-(Hydroxymethyl)-4,8-dimethyl-2H-furo[2,3-h][1]benzopyran-2-one
Database identifiers
- CAS
75663-40-0- PubChem CID
- 153756
- DTXSID
DTXSID30226574- ChEMBL
CHEMBL51657- Nikkaji
- J2.334.672I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 389
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Compound notes
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