4-(methylcarbamoyl)benzoic acid

4-(methylcarbamoyl)benzoic acid

CAS: 23754-45-2

Formula: C9H9NO3

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

IUPAC: 4-(methylcarbamoyl)benzoic acid

InChI: InChI=1S/C9H9NO3/c1-10-8(11)6-2-4-7(5-3-6)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)

Composition: C (60.33%), H (5.06%), N (7.82%), O (26.79%)

Molar Mass: 179.175

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	179.058243154
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ZYTCRZMJZJPYEG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.29
Topological Polar Surface Area	66.4
Polarizability	17.38
Ring Count	1
Rotatable Bond Count	2

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