NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-(1,3-dioxopropan-2-yl)-3-nitrobenzoic acid
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IUPAC Traditional name
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4-(1,3-dioxopropan-2-yl)-3-nitrobenzoic acid
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Synonyms
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2-(4-Hydroxycarbonyl-2-nitrophenyl)-malondialdehyde
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2-(4-Carboxy-2-nitrophenyl)malondialdehyde
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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-1.5103259
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H Acceptors
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6
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H Donor
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1
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LogD (pH = 5.5)
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-3.109607
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LogD (pH = 7.4)
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-4.84004
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Log P
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0.62600756
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Molar Refractivity
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56.3874 cm3
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Polarizability
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20.421654 Å3
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Polar Surface Area
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117.26 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent