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methyl 2-[(2S)-2-amino-3-phenylpropanamido]acetate hydrochloride

methyl 2-[(2S)-2-amino-3-phenylpropanamido]acetate hydrochloride

CAS: 7625-59-4

Formula: C12H17ClN2O3

SMILES: Cl.COC(=O)CNC(=O)[C@@H](N)CC1=CC=CC=C1

IUPAC: methyl 2-[(2S)-2-amino-3-phenylpropanamido]acetate hydrochloride

InChI: InChI=1S/C12H16N2O3.ClH/c1-17-11(15)8-14-12(16)10(13)7-9-5-3-2-4-6-9;/h2-6,10H,7-8,13H2,1H3,(H,14,16);1H/t10-;/m0./s1

Composition: C (52.85%), H (6.28%), Cl (13.00%), N (10.27%), O (17.60%)

Molar Mass: 272.73

Atom Count: 35

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 272.0927701
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey VZLMBUDOOLWFBO-PPHPATTJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.69
Topological Polar Surface Area 81.42
Polarizability 24.89
Ring Count 1
Rotatable Bond Count 6

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Molecule Market Select
Purity LeadTime CAS UnitPrice
98% <10 Days 7625-59-4 Quote Only
J&W PHARMLAB LLC
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 7625-59-4 $157.55-$3,185.50$157.55$201.25$286.35$458.85$802.70$3,185.50
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