Home > Compound List > Compound details
132351-58-7 molecular structure
click picture or here to close

7-hydroxy-4-oxo-2-phenyl-4H-chromen-5-yl acetate

ChemBase ID: 304227
Molecular Formular: C17H12O5
Molecular Mass: 296.27418
Monoisotopic Mass: 296.06847348
SMILES and InChIs

SMILES:
c1(cc(c2c(c1)oc(cc2=O)c1ccccc1)OC(=O)C)O
Canonical SMILES:
CC(=O)Oc1cc(O)cc2c1c(=O)cc(o2)c1ccccc1
InChI:
InChI=1S/C17H12O5/c1-10(18)21-15-7-12(19)8-16-17(15)13(20)9-14(22-16)11-5-3-2-4-6-11/h2-9,19H,1H3
InChIKey:
ZCEVJMPLRAGWNX-UHFFFAOYSA-N

Cite this record

CBID:304227 http://www.chembase.cn/molecule-304227.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-hydroxy-4-oxo-2-phenyl-4H-chromen-5-yl acetate
IUPAC Traditional name
7-hydroxy-4-oxo-2-phenylchromen-5-yl acetate
Synonyms
NPD
5-Acetoxy-7-hydroxyflavone
CAS Number
132351-58-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP00345
Data Source Data ID Price
BioBioPha
BBP00345 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.148094  H Acceptors
H Donor LogD (pH = 5.5) 2.1837106 
LogD (pH = 7.4) 1.0489485  Log P 2.2710807 
Molar Refractivity 80.0845 cm3 Polarizability 30.314972 Å3
Polar Surface Area 72.83 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
Yellow powder expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle