Chemical Properties of Benzoic acid, p-(3-methyl-3-nitrosoureido)- (CAS 90349-65-8)

Benzoic acid, p-(3-methyl-3-nitrosoureido)-

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InChI
InChI=1S/C9H9N3O4/c1-12(11-16)9(15)10-7-4-2-6(3-5-7)8(13)14/h2-5H,1H3,(H,10,15)(H,13,14)
InChI Key
LUAOYJDDQIIDIN-UHFFFAOYSA-N
Formula
C9H9N3O4
SMILES
CN(N=O)C(=O)Nc1ccc(C(=O)O)cc1
Molecular Weight1
223.19
CAS
90349-65-8
Sources

Physical Properties

Property Value Unit Source
Δfgas -428.61 kJ/mol Joback Calculated Property
Δvap 86.31 kJ/mol Joback Calculated Property
logPoct/wat 1.53 Crippen Calculated Property
Pc 4135.61 kPa Joback Calculated Property
Tboil 762.91 K Joback Calculated Property
Tc 968.57 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CH3 1
-N= 1
=CH- (ring) 4
-OH (alcohol) 1
=C< (ring) 2
>N- 1
>NH 1
=O 1
>C=O (nonring) 2

Similar Compounds

Urea], 1,1'-p-phenylene-bis[3-methyl-3-nitroso-. Benzoic acid, 4-[3-(2-chloroethyl)-3-nitrosoureido]-3,5-dimethyl-. Urea, 1-(2-chloroethyl)-3-[p-(dimethylcarbamoyl)phenyl]-1-nitroso-. [4-(([1-(2-Chloroethyl)-2-oxohydrazino]carbonyl)amino)phenyl]acetic acid. Urea, 3-(p-fluorophenyl)-1-methyl-1-nitroso-. Urea, 3-(p-methoxyphenyl)-1-methyl-1-nitroso-. Deanol acetamidobenzoate. Acedoben. Urea, 1-(2-chloroethyl)-1-nitroso-3-phenyl-. Urea, 1,1'-p-phenylenebis[3-(2-hydroxyethyl)-3-nitroso-. Urea, 1,1'-p-phenylenebis[3-(2-fluoroethyl)-3-nitroso-. Urea, 1,1'-p-phenylenebis[3-(2-chloroethyl)-3-nitroso-. Urea, 1-(4-acetylphenyl)-3-(2-chloroethyl)-. Benzoic acid, 4-(methylamino)-. Methyl N-acetylaminobenzoate.

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