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2-amino-3-(4-benzoylphenyl)propanoic acid

2-amino-3-(4-benzoylphenyl)propanoic acid

CAS: 104504-39-4

Formula: C16H15NO3

SMILES: NC(CC1=CC=C(C=C1)C(=O)C1=CC=CC=C1)C(O)=O

IUPAC: 2-amino-3-(4-benzoylphenyl)propanoic acid

InChI: InChI=1/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)

Composition: C (71.36%), H (5.61%), N (5.20%), O (17.82%)

Molar Mass: 269.3

Atom Count: 35

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 269.105193347
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey TVIDEEHSOPHZBR-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.69
Topological Polar Surface Area 80.39
Polarizability 29.53
Ring Count 2
Rotatable Bond Count 5

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Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 104504-39-4 $77.76-$697.92$77.76$233.28$697.92
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