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2-amino-3-(4-methoxyphenyl)butanoic acid

2-amino-3-(4-methoxyphenyl)butanoic acid

CAS: 136845-35-7

Formula: C11H15NO3

SMILES: COC1=CC=C(C=C1)C(C)C(N)C(O)=O

IUPAC: 2-amino-3-(4-methoxyphenyl)butanoic acid

InChI: InChI=1/C11H15NO3/c1-7(10(12)11(13)14)8-3-5-9(15-2)6-4-8/h3-7,10H,12H2,1-2H3,(H,13,14)

Composition: C (63.14%), H (7.23%), N (6.69%), O (22.94%)

Molar Mass: 209.245

Atom Count: 30

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 209.105193347
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey HYOLSKLZTOUWNN-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.05
Topological Polar Surface Area 72.55
Polarizability 22.25
Ring Count 1
Rotatable Bond Count 4

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97% <2 Days 136845-35-7 $457.70-$5,747.70$457.70$572.70$687.70$977.50$1,587.00$5,747.70
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