Basic information
- CAS
262591-13-9- Standard SMILES
CCOc1ccc2oc(=O)cc(C)c2c1- InChIKey
CAJUPFPBROFVEL-UHFFFAOYSA-N- Molecular formula
- C12H12O3
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.07864424
Names & identifiers
- Preferred name
- 6-Ethoxy-4-methylchromen-2-one
- IUPAC
- 6-ethoxy-4-methylchromen-2-one
- English name
- 2H-1-Benzopyran-2-one,6-ethoxy-4-methyl-(9CI)
- Molecular formula
- C12H12O3
- Molecular weight
- 204.22
Names & synonyms
262591-13-96-ethoxy-4-methyl-2H-chromen-2-one6-ethoxy-4-methylchromen-2-one6-ETHOXY-4-METHYLCOUMARINST0602002H-1-Benzopyran-2-one,6-ethoxy-4-methyl-(9CI)MLS000533884CBMicro_0062514-methyl-6-ethoxylcoumarinSCHEMBL7116035CHEMBL1564193CAJUPFPBROFVEL-UHFFFAOYSA-N
Show more names
2H-1-Benzopyran-2-one, 6-ethoxy-4-methyl-
DTXSID701372710HMS2300C13SMSF00137974-methyl-6-ethoxy-2h-chromen-2-oneAKOS024283073CB08473SMR000141321BIM-0006109.P001
Database identifiers
- CAS
262591-13-9- PubChem CID
- 688945
- DTXSID
DTXSID701372710- ChEMBL
CHEMBL1564193
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 283
Chemistry & industry
Suppliers2 total
CHEMSTEP[email protected]
Biosyn Research Chemicals[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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