4-Ethoxy-7-methylcoumarin

HCID 688944
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Basic information

CAS
75590-53-3
Standard SMILES
CCOc1cc(=O)oc2cc(C)ccc12
InChIKey
UQNGBKYOCBSSOA-UHFFFAOYSA-N
Molecular formula
C12H12O3
Average molar mass
204.22 g/mol
Monoisotopic mass
204.07864424

Names & identifiers

Preferred name
4-Ethoxy-7-methylcoumarin
IUPAC
4-ethoxy-7-methylchromen-2-one

Names & synonyms

4-Ethoxy-7-methylcoumarin75590-53-34-ethoxy-7-methylchromen-2-one2H-1-Benzopyran-2-one, 4-ethoxy-7-methyl-ST060212SCHEMBL6337378DTXSID60351000AKOS0242830804-Ethoxy-7-methyl-2H-1-benzopyran-2-one

Database identifiers

CAS
75590-53-3
PubChem CID
688944
DTXSID
DTXSID60351000

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
15

Related reactions

3 records
New reaction record

Compound notes

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