2-[(methylamino)methyl]benzoic acid

2-[(methylamino)methyl]benzoic acid

CAS: 527705-23-3

Formula: C9H11NO2

SMILES: CNCC1=C(C=CC=C1)C(O)=O

IUPAC: 2-[(methylamino)methyl]benzoic acid

InChI: InChI=1S/C9H11NO2/c1-10-6-7-4-2-3-5-8(7)9(11)12/h2-5,10H,6H2,1H3,(H,11,12)

Composition: C (65.44%), H (6.71%), N (8.48%), O (19.37%)

Molar Mass: 165.192

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	165.078978598
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	OEPGNWSDEDOQHX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.56
Topological Polar Surface Area	49.33
Polarizability	17.86
Ring Count	1
Rotatable Bond Count	3

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