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methyl (2S)-2-amino-3-{[1,1'-biphenyl]-4-yl}propanoate

methyl (2S)-2-amino-3-{[1,1'-biphenyl]-4-yl}propanoate

CAS: 139040-51-0

Formula: C16H17NO2

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

IUPAC: methyl (2S)-2-amino-3-{[1,1'-biphenyl]-4-yl}propanoate

InChI: InChI=1S/C16H17NO2/c1-19-16(18)15(17)11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10,15H,11,17H2,1H3/t15-/m0/s1

Composition: C (75.27%), H (6.71%), N (5.49%), O (12.53%)

Molar Mass: 255.317

Atom Count: 36

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 255.125928791
Formal Charge 0
FSP3 0.19
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ZABGKWGFGXZMDE-HNNXBMFYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.02
Topological Polar Surface Area 52.32
Polarizability 30.99
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 139040-51-0 $21.44-$358.12$21.44$39.09$102.14$358.12
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