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3-amino-3-(2-nitrophenyl)propanoic acid

3-amino-3-(2-nitrophenyl)propanoic acid

CAS: 5678-48-8

Formula: C9H10N2O4

SMILES: NC(CC(O)=O)C1=CC=CC=C1[N+]([O-])=O

IUPAC: 3-amino-3-(2-nitrophenyl)propanoic acid

InChI: InChI=1/C9H10N2O4/c10-7(5-9(12)13)6-3-1-2-4-8(6)11(14)15/h1-4,7H,5,10H2,(H,12,13)

Composition: C (51.43%), H (4.80%), N (13.33%), O (30.45%)

Molar Mass: 210.189

Atom Count: 25

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 210.06405681
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey XXBOYULKNZTOMN-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.31
Topological Polar Surface Area 106.46
Polarizability 19.84
Ring Count 1
Rotatable Bond Count 4

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