7-(Allyloxy)-4-methyl-2H-chromen-2-one
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Basic information
- CAS
3993-57-5- Standard SMILES
C=CCOc1ccc2c(C)cc(=O)oc2c1- InChIKey
GLCBOQQZRISLFQ-UHFFFAOYSA-N- Molecular formula
- C13H12O3
- Average molar mass
- 216.23 g/mol
- Monoisotopic mass
- 216.07864424
Names & identifiers
- Preferred name
- 7-(Allyloxy)-4-methyl-2H-chromen-2-one
- IUPAC
- 4-methyl-7-prop-2-enoxychromen-2-one
- English name
- 7-ALLYLOXY-4-METHYLCOUMARIN
- Molecular formula
- C13H12O3
- Molecular weight
- 216.23
Names & synonyms
3993-57-57-(Allyloxy)-4-methyl-2H-chromen-2-one7-allyloxy-4-methylcoumarin4-methyl-7-prop-2-enoxychromen-2-one4-methyl-7-(prop-2-en-1-yloxy)-2H-chromen-2-one2H-1-Benzopyran-2-one,4-methyl-7-(2-propen-1-yloxy)-4-Methyl-7-[(prop-2-en-1-yl)oxy]-2H-1-benzopyran-2-one7-allyloxy-4-methyl-chromen-2-oneNSC43576SCHEMBL660817CHEMBL3740543DTXSID70286051
Show more names
4-(trifluoroacetamido)isoquinoline4-methyl-7-prop-2-enoxy-chromen-2-one2H-1-Benzopyran-2-one, 4-methyl-7-(2-propen-1-yloxy)-
HMS1607O21CCG-15102NSC-43576STK387217AKOS0022385124-methyl-7-prop-2-enyloxychromen-2-one7-(Allyloxy)-4-methyl-2H-2-chromenoneDB-369430
Database identifiers
- CAS
3993-57-5- PubChem CID
- 238952
- DTXSID
DTXSID70286051- ChEMBL
CHEMBL3740543- Nikkaji
- J1.624.419H
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Melting point
- 100 · 100-101 °C
- Boiling point
- 373.1 · 373.1±42.0 °C(Predicted)
- Density
- 1.155 · 1.155±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
6 records
Compound notes
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