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2-({[(4,5-dimethoxy-2-nitrophenyl)methoxy]carbonyl}amino)-3-(1,3-oxazol-5-yl)propanoic acid

2-({[(4,5-dimethoxy-2-nitrophenyl)methoxy]carbonyl}amino)-3-(1,3-oxazol-5-yl)propanoic acid

Formula: C16H17N3O9

SMILES: COC1=C(OC)C=C(C(COC(=O)NC(CC2=CN=CO2)C(O)=O)=C1)[N+]([O-])=O

IUPAC: 2-({[(4,5-dimethoxy-2-nitrophenyl)methoxy]carbonyl}amino)-3-(1,3-oxazol-5-yl)propanoic acid

InChI: InChI=1/C16H17N3O9/c1-25-13-3-9(12(19(23)24)5-14(13)26-2)7-27-16(22)18-11(15(20)21)4-10-6-17-8-28-10/h3,5-6,8,11H,4,7H2,1-2H3,(H,18,22)(H,20,21)

Composition: C (48.61%), H (4.33%), N (10.63%), O (36.42%)

Molar Mass: 395.324

Atom Count: 45

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 395.096479139
Formal Charge 0
FSP3 0.31
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 2
InChIKey GWNJHMYINKSEEI-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.74
Topological Polar Surface Area 163.26
Polarizability 34.79
Ring Count 2
Rotatable Bond Count 10

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Purity LeadTime Formula UnitPrice
98% <10 Days C16H17N3O9 Quote Only