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benzyl (2S)-2-aminopropanoate hydrochloride

benzyl (2S)-2-aminopropanoate hydrochloride

CAS: 5557-83-5

Formula: C10H14ClNO2

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

IUPAC: benzyl (2S)-2-aminopropanoate hydrochloride

InChI: InChI=1S/C10H13NO2.ClH/c1-8(11)10(12)13-7-9-5-3-2-4-6-9;/h2-6,8H,7,11H2,1H3;1H/t8-;/m0./s1

Composition: C (55.69%), H (6.54%), Cl (16.44%), N (6.49%), O (14.84%)

Molar Mass: 215.68

Atom Count: 28

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 215.0713064
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RLMHWGDKMJIEHH-QRPNPIFTSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.88
Topological Polar Surface Area 52.32
Polarizability 19.98
Ring Count 1
Rotatable Bond Count 4

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