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sodium 3,4,5-trihydroxy-6-(4-nitrophenoxy)oxane-2-carboxylate

sodium 3,4,5-trihydroxy-6-(4-nitrophenoxy)oxane-2-carboxylate

Formula: C12H12NNaO9

SMILES: [Na+].OC1C(O)C(OC2=CC=C(C=C2)[N+]([O-])=O)OC(C1O)C([O-])=O

IUPAC: sodium 3,4,5-trihydroxy-6-(4-nitrophenoxy)oxane-2-carboxylate

InChI: InChI=1/C12H13NO9.Na/c14-7-8(15)10(11(17)18)22-12(9(7)16)21-6-3-1-5(2-4-6)13(19)20;/h1-4,7-10,12,14-16H,(H,17,18);/q;+1/p-1

Composition: C (42.74%), H (3.59%), N (4.15%), Na (6.82%), O (42.70%)

Molar Mass: 337.216

Atom Count: 35

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 5
Exact Mass 337.04097525
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 9
Hydrogen Bond Donor Count 3
InChIKey XZSCXLWCVBZJEE-UHFFFAOYNA-M
Lipinski's Rule of Five 1
Molar Refractivity 77.21
Topological Polar Surface Area 162.42
Polarizability 26.55
Ring Count 2
Rotatable Bond Count 4

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Purity (%)
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Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C12H12NNaO9 Quote Only