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10387-49-2 molecular structure
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2-oxo-2H-chromen-7-yl acetate

ChemBase ID: 179733
Molecular Formular: C11H8O4
Molecular Mass: 204.17882
Monoisotopic Mass: 204.04225874
SMILES and InChIs

SMILES:
o1c2cc(OC(=O)C)ccc2ccc1=O
Canonical SMILES:
CC(=O)Oc1ccc2c(c1)oc(=O)cc2
InChI:
InChI=1S/C11H8O4/c1-7(12)14-9-4-2-8-3-5-11(13)15-10(8)6-9/h2-6H,1H3
InChIKey:
MGZOXZPZHVOXQB-UHFFFAOYSA-N

Cite this record

CBID:179733 http://www.chembase.cn/molecule-179733.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-oxo-2H-chromen-7-yl acetate
IUPAC Traditional name
2-oxo-2H-chromen-7-yl acetate
Synonyms
Acetylumbelliferone
7-Acetoxycoumarin
CAS Number
10387-49-2
PubChem SID
164235643
PubChem CID
928228

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
InterBioScreen
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Data Source Data ID
PubChem 928228 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3906206  LogD (pH = 7.4) 1.3906206 
Log P 1.3906206  Molar Refractivity 52.681 cm3
Polarizability 20.157217 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Biological Source
Constit. of Daphne gnidioides expand Show data source
Application(s)
Antiaggregant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Chem.Pharm.Bull. (43, No. 8, 1385-87, 1995) Search for naturally occurring substances to prevent the complications of diabetes.
  • • II. Inhibitory effect of coumarin and flavonoid derivatives on bovine lens aldose reductase and rabbit platelet aggregation.
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PATENTS

PATENTS

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INTERNET

INTERNET

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