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(2S)-2-amino-3-(3,4-dimethylphenyl)propanoic acid

(2S)-2-amino-3-(3,4-dimethylphenyl)propanoic acid

CAS: 142995-28-6

Formula: C11H15NO2

SMILES: CC1=CC=C(C[C@H](N)C(O)=O)C=C1C

IUPAC: (2S)-2-amino-3-(3,4-dimethylphenyl)propanoic acid

InChI: InChI=1S/C11H15NO2/c1-7-3-4-9(5-8(7)2)6-10(12)11(13)14/h3-5,10H,6,12H2,1-2H3,(H,13,14)/t10-/m0/s1

Composition: C (68.37%), H (7.82%), N (7.25%), O (16.56%)

Molar Mass: 193.246

Atom Count: 29

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 193.110278727
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey PHTDECHKNDJYMG-JTQLQIEISA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.2
Topological Polar Surface Area 63.32
Polarizability 21.41
Ring Count 1
Rotatable Bond Count 3

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Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 142995-28-6 $138.24-$620.16$138.24$207.36$620.16
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