Suberosin epoxide
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Basic information
- CAS
38409-28-8- Standard SMILES
COc1cc2oc(=O)ccc2cc1CC1OC1(C)C- InChIKey
JZRVCRZHZQXYDH-UHFFFAOYSA-N- Molecular formula
- C15H16O4
- Average molar mass
- 260.28 g/mol
- Monoisotopic mass
- 260.10485899
Names & identifiers
- Preferred name
- Suberosin epoxide
- IUPAC
- 6-[(3,3-dimethyloxiran-2-yl)methyl]-7-methoxychromen-2-one
- English name
- 7-Methoxy-6-(3,3-dimethyloxiranylmethyl)-2H-1-benzopyran-2-one
- Molecular formula
- C15H16O4
- Molecular weight
- 260.29
Names & synonyms
Suberosin epoxide2H-1-Benzopyran-2-one, 6-[(3,3-dimethyloxiranyl)methyl]-7-methoxy-DTXSID803464732H-1-Benzopyran-2-one, 6-((3,3-dimethyloxiranyl)methyl)-7-methoxy-RefChem:186240DTXCID10297545JZRVCRZHZQXYDH-UHFFFAOYSA-N38409-28-86-[(3,3-dimethyloxiran-2-yl)methyl]-7-methoxychromen-2-oneSCHEMBL62756117-Methoxy-6-(3,3-dimethyloxiranylmethyl)-2H-1-benzopyran-2-oneFDA36868
Show more names
6-[(3,3-Dimethyloxiran-2-yl)methyl]-7-methoxycoumarin2H-1-Benzopyran-2-one, 6-[(3,3-dimethyl-2-oxiranyl)methyl]-7-methoxy-
6-[(3,3-Dimethyloxiran-2-yl)methyl]-7-methoxy-2H-1-benzopyran-2-oneXS164080DB-2641206-[(3,3-Dimethyl-2-oxiranyl)methyl]-7-methoxy-2H-chromen-2-one #
Database identifiers
- CAS
38409-28-8- PubChem CID
- 612480
- DTXSID
DTXSID80346473- Nikkaji
- J103.429D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- Boiling point
- 411.2 · 411.2±45.0 °C(Predicted)
- Density
- 1.223 · 1.223±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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