7-Glycidoxycoumarin
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Basic information
- CAS
36651-62-4- Standard SMILES
O=c1ccc2ccc(OCC3CO3)cc2o1- InChIKey
LCXLBLMRJRRPQJ-UHFFFAOYSA-N- Molecular formula
- C12H10O4
- Average molar mass
- 218.2 g/mol
- Monoisotopic mass
- 218.0579088
Overview
structure given in first source
Names & identifiers
- Preferred name
- 7-Glycidoxycoumarin
- IUPAC
- 7-(oxiran-2-ylmethoxy)chromen-2-one
- English name
- 7-glycidoxycoumarin
- Molecular formula
- C12H10O4
- Molecular weight
- 218.21
Names & synonyms
7-Glycidoxycoumarin36651-62-47-(2',3'-Epoxy)propoxycoumarinRefChem:1061057-(2,3-epoxypropoxy)cumarinSCHEMBL3362778SCHEMBL30498671DTXSID00957909LCXLBLMRJRRPQJ-UHFFFAOYSA-N7-[(Oxiran-2-yl)methoxy]-2H-1-benzopyran-2-one2H-1-Benzopyran-2-one, 7-(oxiranylmethoxy)-, (S-(R*,R*))-2H-1-Benzopyran-2-one, 7-(2-oxiranylmethoxy)-
Database identifiers
- CAS
36651-62-4- PubChem CID
- 169795
- DTXSID
DTXSID00957909- Nikkaji
- J3.254.095C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Melting point
- 110 · 110-112 °C
- Boiling point
- 414.5 · 414.5±40.0 °C(Predicted)
- Density
- 1.351 · 1.351±0.06 g/cm3(Predicted)
Related reactions
1 records
Compound notes
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