(5-Acetyloxy-4-methyl-2-oxochromen-7-yl) acetate

HCID 390800

Notes Reactions

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Basic information

CAS: 66695-25-8
Standard SMILES: CC(=O)Oc1cc(OC(C)=O)c2c(C)cc(=O)oc2c1
InChIKey: XZMIXWYSAYXQPU-UHFFFAOYSA-N
Molecular formula: C14H12O6
Average molar mass: 276.24 g/mol
Monoisotopic mass: 276.0633881

Names & identifiers

Preferred name: (5-Acetyloxy-4-methyl-2-oxochromen-7-yl) acetate
IUPAC: (5-acetyloxy-4-methyl-2-oxochromen-7-yl) acetate

Names & synonyms

66695-25-8NSC688796(5-acetyloxy-4-methyl-2-oxochromen-7-yl) acetate4-methyl-2-oxo-2h-chromene-5,7-diyl diacetateMLS000109851SMR0001057864-Methyl-2-oxo-2H-1-benzopyran-5,7-diyl diacetate5-(Acetyloxy)-4-methyl-2-oxo-2H-chromen-7-yl acetateCBMicro_044720Oprea1_681351cid_3908004-methyl-5,7-diacetoxycoumarin

Show more names

CHEMBL1479591BDBM32336DTXSID30327813XZMIXWYSAYXQPU-UHFFFAOYSA-NHMS2273F097-(ACETYLOXY)-4-METHYL-2-OXO-2H-CHROMEN-5-YL ACETATEAKOS001021544EBC-611704

Database identifiers

CAS: 66695-25-8
PubChem CID: 390800
DTXSID: DTXSID30327813
ChEMBL: CHEMBL1479591
Nikkaji: J1.358.717E

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 78.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 466

Related reactions

1 records

New reaction record

HRID 1106270As reactantuspto-grants-1982_01

Compound notes

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