methyl 2-amino-2-(4-methoxyphenyl)acetate hydrochloride

methyl 2-amino-2-(4-methoxyphenyl)acetate hydrochloride

CAS: 13226-99-8

Formula: C10H14ClNO3

SMILES: Cl.COC(=O)C(N)C1=CC=C(OC)C=C1

IUPAC: methyl 2-amino-2-(4-methoxyphenyl)acetate hydrochloride

InChI: InChI=1/C10H13NO3.ClH/c1-13-8-5-3-7(4-6-8)9(11)10(12)14-2;/h3-6,9H,11H2,1-2H3;1H

Composition: C (51.84%), H (6.09%), Cl (15.30%), N (6.05%), O (20.72%)

Molar Mass: 231.68

Atom Count: 29

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	231.066221
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VUEACPSVBZTUCV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.59
Topological Polar Surface Area	61.55
Polarizability	20.66
Ring Count	1
Rotatable Bond Count	4

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