Home > Compound List > Compound details
92439-20-8 molecular structure
click picture or here to close

6-hydroxy-2-(2-hydroxyphenyl)-4H-chromen-4-one

ChemBase ID: 296417
Molecular Formular: C15H10O4
Molecular Mass: 254.2375
Monoisotopic Mass: 254.0579088
SMILES and InChIs

SMILES:
c1ccc(c(c1)c1cc(=O)c2cc(ccc2o1)O)O
Canonical SMILES:
Oc1ccc2c(c1)c(=O)cc(o2)c1ccccc1O
InChI:
InChI=1S/C15H10O4/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8,16-17H
InChIKey:
YCGXYGWBHFKQHY-UHFFFAOYSA-N

Cite this record

CBID:296417 http://www.chembase.cn/molecule-296417.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-hydroxy-2-(2-hydroxyphenyl)-4H-chromen-4-one
IUPAC Traditional name
6-hydroxy-2-(2-hydroxyphenyl)chromen-4-one
Synonyms
2',6-Dihydroxyflavone
2',6-二羟基黄酮
CAS Number
92439-20-8
MDL Number
MFCD00017676
PubChem SID
180681948
PubChem CID
688661

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Alfa Aesar
H27229 external link Add to cart Please log in.
Data Source Data ID
PubChem 688661 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.2168  H Acceptors
H Donor LogD (pH = 5.5) 2.359427 
LogD (pH = 7.4) 2.2981343  Log P 2.3602545 
Molar Refractivity 70.933 cm3 Polarizability 26.478857 Å3
Polar Surface Area 66.76 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
97% 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