3-(2-amino-2-carboxyethyl)benzoic acid hydrochloride

3-(2-amino-2-carboxyethyl)benzoic acid hydrochloride

CAS: 80852-34-2

Formula: C10H12ClNO4

SMILES: Cl.NC(CC1=CC=CC(=C1)C(O)=O)C(O)=O

IUPAC: 3-(2-amino-2-carboxyethyl)benzoic acid hydrochloride

InChI: InChI=1/C10H11NO4.ClH/c11-8(10(14)15)5-6-2-1-3-7(4-6)9(12)13;/h1-4,8H,5,11H2,(H,12,13)(H,14,15);1H

Composition: C (48.89%), H (4.92%), Cl (14.43%), N (5.70%), O (26.05%)

Molar Mass: 245.66

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	245.0454856
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	NLSQVXAYBFSSOL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.37
Topological Polar Surface Area	100.62
Polarizability	20.28
Ring Count	1
Rotatable Bond Count	4

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