Basic information
- CAS
6457-92-7- Standard SMILES
Cc1cc(=O)oc2c1ccc1occc12- InChIKey
HCYYGOURSFQHRV-UHFFFAOYSA-N- Molecular formula
- C12H8O3
- Average molar mass
- 200.19 g/mol
- Monoisotopic mass
- 200.04734411
Names & identifiers
- Preferred name
- 4-Methyl-2H-furo(2,3-h)-1-benzopyran-2-one
- IUPAC
- 4-methylfuro[2,3-h]chromen-2-one
- English name
- 4-Methylangelicin
- Molecular formula
- C12H8O3
- Molecular weight
- 200.19
Names & synonyms
4-Methylangelicin6457-92-74-Methyl-2H-furo(2,3-h)-1-benzopyran-2-one4-methyl-2H-furo[2,3-h]-1-benzopyran-2-oneG7K3XZ746NDTXSID508770622H-Furo[2,3-h]-1-benzopyran-2-one, 4-methyl-2H-Furo(2,3-h)-1-benzopyran-2-one, 4-methyl-RefChem:99839DTXCID5010151462H-Furo(2,3-h)(1)benzopyran-2-one, 4-methyl-BRN 0174731
Show more names
4-methyl-angelicinMethylangelicin, 4-4-Methyl-2H-furo[2,3-h][1]benzopyran-2-oneOprea1_085056Oprea1_8669705-19-04-00456 (Beilstein Handbook Reference)CHEMBL170389SCHEMBL9118095
Database identifiers
- CAS
6457-92-7- PubChem CID
- 80934
- DTXSID
DTXSID50877062- ChEMBL
CHEMBL170389- UNII
- G7K3XZ746N
- Nikkaji
- J75.539G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 321
Experimental & physicochemical properties
LogP2.34
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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