NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
|
IUPAC Traditional name
|
|
Synonyms
|
2-Ketohexanoic acid sodium salt
|
α-氧代己酸 钠盐
|
2-氧己酸 钠盐
|
2-酮己酸 钠盐
|
|
|
CAS Number
|
|
MDL Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
3.5287633
|
H Acceptors
|
3
|
H Donor
|
0
|
LogD (pH = 5.5)
|
-0.30847585
|
LogD (pH = 7.4)
|
-1.711053
|
Log P
|
1.6555471
|
Molar Refractivity
|
42.6557 cm3
|
Polarizability
|
12.32327 Å3
|
Polar Surface Area
|
57.2 Å2
|
Rotatable Bonds
|
4
|
Lipinski's Rule of Five
|
true
|
DETAILS
DETAILS
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent