NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
6,7-dihydroxy-3,4-dimethyl-2H-chromen-2-one
|
|
|
IUPAC Traditional name
|
6,7-dihydroxy-3,4-dimethylchromen-2-one
|
|
|
Synonyms
|
DIMETHYL ESCULETIN
|
6,7-dihydroxy-3,4-dimethyl-2H-chromen-2-one
|
|
|
CAS Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
7.8602552
|
H Acceptors
|
3
|
H Donor
|
2
|
LogD (pH = 5.5)
|
1.8692969
|
LogD (pH = 7.4)
|
1.7430167
|
Log P
|
1.8711741
|
Molar Refractivity
|
54.1495 cm3
|
Polarizability
|
20.619865 Å3
|
Polar Surface Area
|
66.76 Å2
|
Rotatable Bonds
|
0
|
Lipinski's Rule of Five
|
true
|
PROPERTIES
PROPERTIES
Safety Information
Product Information
Bioassay(PubChem)
Certificate of Analysis
|
|
Classification
|
Derivatives & analogs of Natural Compounds
|
Show
data source
|
|
DETAILS
DETAILS
MP Biomedicals
PATENTS
PATENTS
PubChem Patent
Google Patent