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3-amino-3-(2,4,5-trimethylphenyl)propanoic acid

3-amino-3-(2,4,5-trimethylphenyl)propanoic acid

CAS: 773122-62-6

Formula: C12H17NO2

SMILES: CC1=CC(C)=C(C=C1C)C(N)CC(O)=O

IUPAC: 3-amino-3-(2,4,5-trimethylphenyl)propanoic acid

InChI: InChI=1/C12H17NO2/c1-7-4-9(3)10(5-8(7)2)11(13)6-12(14)15/h4-5,11H,6,13H2,1-3H3,(H,14,15)

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 BSNQNMBWAZLROU-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.11
Topological Polar Surface Area 63.32
Polarizability 23.18
Ring Count 1
Rotatable Bond Count 3

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95% <5 Days 773122-62-6 $2,640.00-$4,306.00$2,640.00$3,520.00$4,306.00
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