3-(methylamino)benzoic acid

3-(methylamino)benzoic acid

CAS: 51524-84-6

Formula: C8H9NO2

SMILES: CNC1=CC=CC(=C1)C(O)=O

IUPAC: 3-(methylamino)benzoic acid

InChI: InChI=1S/C8H9NO2/c1-9-7-4-2-3-6(5-7)8(10)11/h2-5,9H,1H3,(H,10,11)

Composition: C (63.56%), H (6.00%), N (9.27%), O (21.17%)

Molar Mass: 151.165

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	151.063328534
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ZCCNWBPFIBQFQX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.51
Topological Polar Surface Area	49.33
Polarizability	15.64
Ring Count	1
Rotatable Bond Count	2

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