8-Methylpsoralen
Basic information
- CAS
15912-88-6- Standard SMILES
Cc1c2occc2cc2ccc(=O)oc12- InChIKey
IVUMRIXSXVKOMB-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
- 8-Methylpsoralen
- IUPAC
- 9-methylfuro[3,2-g]chromen-7-one
- English name
- 8-methylpsoralen
- Molecular formula
- C12H8O3
- Molecular weight
- 200.19
Names & synonyms
8-Methylpsoralen15912-88-6RefChem:914621NOCAS_8770619-Methyl-7H-furo(3,2-g)(1)benzopyran-7-one9-Methyl-7H-furo[3,2-g][1]benzopyran-7-onePSORALEN,8-METHYLSCHEMBL8416177DTXSID90877061NS000948567H-Furo(3,2-g)(1)benzopyran-7-one, 9-methyl-7H-Furo[3,2-g][1]benzopyran-7-one, 9-methyl-
Database identifiers
- CAS
15912-88-6- PubChem CID
- 119073
- DTXSID
DTXSID90877061- Nikkaji
- J75.540K
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
LogP2.48
Physicochemical properties
- Melting point
- 150 · 150-151 °C
- Boiling point
- 369.8 · 369.8±30.0 °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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