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3-[(tert-butoxycarbonyl)amino]-3-(4-nitrophenyl)propanoic acid

3-[(tert-butoxycarbonyl)amino]-3-(4-nitrophenyl)propanoic acid

CAS: 172833-36-2

Formula: C14H18N2O6

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

IUPAC: 3-{[(tert-butoxy)carbonyl]amino}-3-(4-nitrophenyl)propanoic acid

InChI: InChI=1/C14H18N2O6/c1-14(2,3)22-13(19)15-11(8-12(17)18)9-4-6-10(7-5-9)16(20)21/h4-7,11H,8H2,1-3H3,(H,15,19)(H,17,18)

Composition: C (54.19%), H (5.85%), N (9.03%), O (30.94%)

Molar Mass: 310.306

Atom Count: 40

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 310.116486308
Formal Charge 0
FSP3 0.43
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey JLVLDNCAYKCLCI-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.18
Topological Polar Surface Area 118.77
Polarizability 29.47
Ring Count 1
Rotatable Bond Count 7

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Purity LeadTime CAS UnitPrice
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90% <2 Days 172833-36-2 $51.35-$524.40$51.35$63.37$86.31$524.40
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