4'-Methylangelicin
Basic information
- CAS
78982-40-8- Standard SMILES
Cc1coc2ccc3ccc(=O)oc3c12- InChIKey
NHOICFAHZSXGJY-UHFFFAOYSA-N- Molecular formula
- C12H8O3
- Average molar mass
- 200.19 g/mol
- Monoisotopic mass
- 200.04734411
Overview
structure given in first source
Names & identifiers
- Preferred name
- 4'-Methylangelicin
- IUPAC
- 9-methylfuro[2,3-h]chromen-2-one
- English name
- 2H-Furo(2,3-h)-1-benzopyran-2-one, 9-methyl-
- Molecular formula
- C12H8O3
- Molecular weight
- 200.19
Names & synonyms
78982-40-89-Methylangelicin4'-MethylangelicinRefChem:960379-methyl-2h-furo[2,3-h]chromen-2-one9-methylfuro[2,3-h]chromen-2-one2H-Furo(2,3-h)-1-benzopyran-2-one, 9-methyl-2H-Furo[2,3-h]-1-benzopyran-2-one, 9-methyl-CHEMBL354283DTXSID10877063AKOS027201232EN300-254620
Show more names
9-Methyl-2H-furo[2,3-h]-1-benzopyran-2-one
9-Methyl-2H-furo[2,3-h][1]benzopyran-2-oneZ1862000414
Database identifiers
- CAS
78982-40-8- PubChem CID
- 92397
- DTXSID
DTXSID10877063- ChEMBL
CHEMBL354283- Nikkaji
- J442.588J
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
LogP2.51
Physicochemical properties
- Melting point
- 148 °C · 148 °C
- Boiling point
- 381.5 · 381.5±37.0 °C(Predicted)
- Density
- 1.332 · 1.332±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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