NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
2,2-dihydroxy-1H,2H,3H-cyclopenta[b]naphthalene-1,3-dione
|
|
|
IUPAC Traditional name
|
2,2-dihydroxycyclopenta[b]naphthalene-1,3-dione
|
|
|
Synonyms
|
2,2-Dihydroxy-(1H)-benz[f]indene-1,3(2H)-dione
|
Benzo[f]ninhydrin monohydrate
|
|
|
CAS Number
|
|
MDL Number
|
|
Beilstein Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
8.2508955
|
H Acceptors
|
4
|
H Donor
|
2
|
LogD (pH = 5.5)
|
1.4401692
|
LogD (pH = 7.4)
|
1.3836442
|
Log P
|
1.4409385
|
Molar Refractivity
|
59.8948 cm3
|
Polarizability
|
23.96582 Å3
|
Polar Surface Area
|
74.6 Å2
|
Rotatable Bonds
|
0
|
Lipinski's Rule of Five
|
true
|
DETAILS
DETAILS
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent