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3-(4-acetylphenyl)-2-aminopropanoic acid

3-(4-acetylphenyl)-2-aminopropanoic acid

CAS: 22888-49-9

Formula: C11H13NO3

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

IUPAC: 3-(4-acetylphenyl)-2-aminopropanoic acid

InChI: InChI=1/C11H13NO3/c1-7(13)9-4-2-8(3-5-9)6-10(12)11(14)15/h2-5,10H,6,12H2,1H3,(H,14,15)

Composition: C (63.76%), H (6.32%), N (6.76%), O (23.16%)

Molar Mass: 207.229

Atom Count: 28

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 207.089543283
Formal Charge 0
FSP3 0.27
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey ZXSBHXZKWRIEIA-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.52
Topological Polar Surface Area 80.39
Polarizability 21.63
Ring Count 1
Rotatable Bond Count 4

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