NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
5-hydroxy-4-methoxy-2-nitrobenzoic acid
|
|
|
IUPAC Traditional name
|
5-hydroxy-4-methoxy-2-nitrobenzoic acid
|
|
|
Synonyms
|
5-Hydroxy-4-methoxy-2-nitrobenzoic acid
|
5-Carboxy-2-methoxy-4-nitrophenol
|
4-Carboxy-2-hydroxy-5-nitroanisole
|
5-Hydroxy-4-methoxy-2-nitrobenzoic acid 95+%
|
|
|
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
|
2.3764284
|
H Acceptors
|
6
|
H Donor
|
2
|
LogD (pH = 5.5)
|
-1.8740231
|
LogD (pH = 7.4)
|
-2.628846
|
Log P
|
1.1095763
|
Molar Refractivity
|
49.083 cm3
|
Polarizability
|
17.917501 Å3
|
Polar Surface Area
|
112.58 Å2
|
Rotatable Bonds
|
3
|
Lipinski's Rule of Five
|
true
|
PATENTS
PATENTS
PubChem Patent
Google Patent