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3-[(methylcarbamoyl)amino]benzoic acid

3-[(methylcarbamoyl)amino]benzoic acid

CAS: 501646-90-8

Formula: C9H10N2O3

SMILES: CNC(=O)NC1=CC(=CC=C1)C(O)=O

IUPAC: 3-[(methylcarbamoyl)amino]benzoic acid

InChI: InChI=1S/C9H10N2O3/c1-10-9(14)11-7-4-2-3-6(5-7)8(12)13/h2-5H,1H3,(H,12,13)(H2,10,11,14)

Composition: C (55.67%), H (5.19%), N (14.43%), O (24.72%)

Molar Mass: 194.19

Atom Count: 24

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 194.06914219
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey OZMAIYZLSWWAGU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.75
Topological Polar Surface Area 78.43
Polarizability 18.73
Ring Count 1
Rotatable Bond Count 2

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95% 1 Day 501646-90-8 $97.98-$381.02$97.98$190.51$381.02
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