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2-amino-3-(3-cyanophenyl)propanoic acid

2-amino-3-(3-cyanophenyl)propanoic acid

CAS: 63999-80-4

Formula: C10H10N2O2

SMILES: NC(CC1=CC(=CC=C1)C#N)C(O)=O

IUPAC: 2-amino-3-(3-cyanophenyl)propanoic acid

InChI: InChI=1/C10H10N2O2/c11-6-8-3-1-2-7(4-8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)

Composition: C (63.15%), H (5.30%), N (14.73%), O (16.82%)

Molar Mass: 190.202

Atom Count: 24

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 190.07422757
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey ZHUOMTMPTNZOJE-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.84
Topological Polar Surface Area 87.11
Polarizability 19.73
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 63999-80-4 $49.18-$519.53$49.18$176.54$298.86$519.53
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