benzyl (2S)-2-amino-3-hydroxypropanoate hydrochloride

benzyl (2S)-2-amino-3-hydroxypropanoate hydrochloride

CAS: 60022-62-0

Formula: C10H14ClNO3

SMILES: Cl.N[C@@H](CO)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl (2S)-2-amino-3-hydroxypropanoate hydrochloride

InChI: InChI=1S/C10H13NO3.ClH/c11-9(6-12)10(13)14-7-8-4-2-1-3-5-8;/h1-5,9,12H,6-7,11H2;1H/t9-;/m0./s1

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	2
InChIKey	MGZWCDQAKCHOBX-FVGYRXGTSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.42
Topological Polar Surface Area	72.55
Polarizability	20.61
Ring Count	1
Rotatable Bond Count	5

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