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(2S)-2-amino-5-(2-methylphenyl)pentanoic acid

(2S)-2-amino-5-(2-methylphenyl)pentanoic acid

CAS: 2350174-43-3

Formula: C12H17NO2

SMILES: CC1=CC=CC=C1CCC[C@H](N)C(O)=O

IUPAC: (2S)-2-amino-5-(2-methylphenyl)pentanoic acid

InChI: InChI=1S/C12H17NO2/c1-9-5-2-3-6-10(9)7-4-8-11(13)12(14)15/h2-3,5-6,11H,4,7-8,13H2,1H3,(H,14,15)/t11-/m0/s1

Composition: C (69.54%), H (8.27%), N (6.76%), O (15.44%)

Molar Mass: 207.273

Atom Count: 32

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 207.125928791
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey PZMHBFICRGDBNW-NSHDSACASA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.36
Topological Polar Surface Area 63.32
Polarizability 23.26
Ring Count 1
Rotatable Bond Count 5

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Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 2350174-43-3 $284.16-$689.28$284.16$431.04$689.28
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