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(2S)-2-amino-3-[4-(pyridin-3-yl)phenyl]propanoic acid

(2S)-2-amino-3-[4-(pyridin-3-yl)phenyl]propanoic acid

CAS: 916911-74-5

Formula: C14H14N2O2

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

IUPAC: (2S)-2-amino-3-[4-(pyridin-3-yl)phenyl]propanoic acid

InChI: InChI=1S/C14H14N2O2/c15-13(14(17)18)8-10-3-5-11(6-4-10)12-2-1-7-16-9-12/h1-7,9,13H,8,15H2,(H,17,18)/t13-/m0/s1

Composition: C (69.41%), H (5.82%), N (11.56%), O (13.21%)

Molar Mass: 242.278

Atom Count: 32

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 242.105527699
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey HWAKOCNTLFYOFR-ZDUSSCGKSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.1
Topological Polar Surface Area 76.21
Polarizability 27.95
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 916911-74-5 $316.80-$844.80$316.80$528.00$844.80
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