Basic information
- CAS
15798-77-3- Standard SMILES
Cc1cc2c(ccc3ccc(=O)oc32)o1- InChIKey
VVZYOVZUPIFCCR-UHFFFAOYSA-N- Molecular formula
- C12H8O3
- Average molar mass
- 200.19 g/mol
- Monoisotopic mass
- 200.04734411
Names & identifiers
- Preferred name
- 5'-Methylangelicin
- IUPAC
- 8-methylfuro[2,3-h]chromen-2-one
Names & synonyms
15798-77-35'-Methylangelicin2H-Furo(2,3-h)-1-benzopyran-2-one, 8-methyl-2H-Furo[2,3-h]-1-benzopyran-2-one, 8-methyl-8-Methyl-2H-furo(2,3-h)-1-benzopyran-2-one8-Methyl-2H-furo[2,3-h][1]benzopyran-2-one2H-Furo(2,3-h)(1)benzopyran-2-one, 8-methyl-CHEMBL352860VVZYOVZUPIFCCR-UHFFFAOYSA-DTXSID90877066InChI=1/C12H8O3/c1-7-6-9-10(14-7)4-2-8-3-5-11(13)15-12(8)9/h2-6H,1H3
Database identifiers
- CAS
15798-77-3- PubChem CID
- 85113
- DTXSID
DTXSID90877066- ChEMBL
CHEMBL352860- Nikkaji
- J442.589H
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 310
Experimental & physicochemical properties
LogP2.49
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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