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sodium 3-carboxy-7-oxabicyclo[2.2.1]heptane-2-carboxylate

sodium 3-carboxy-7-oxabicyclo[2.2.1]heptane-2-carboxylate

CAS: 13114-29-9

Formula: C8H9NaO5

SMILES: [Na+].OC(=O)C1C2CCC(O2)C1C([O-])=O

IUPAC: sodium 3-carboxy-7-oxabicyclo[2.2.1]heptane-2-carboxylate

InChI: InChI=1/C8H10O5.Na/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;/h3-6H,1-2H2,(H,9,10)(H,11,12);/q;+1/p-1

Composition: C (46.16%), H (4.36%), Na (11.05%), O (38.43%)

Molar Mass: 208.145

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 4
Exact Mass 208.03476767
Formal Charge 0
FSP3 0.75
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey KZPNUWRDSBFEFS-UHFFFAOYNA-M
Lipinski's Rule of Five 1
Molar Refractivity 50.44
Topological Polar Surface Area 86.66
Polarizability 15.85
Ring Count 2
Rotatable Bond Count 2

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Selleck Chemicals
Purity LeadTime CAS UnitPrice
98% <10 Days 13114-29-9 Quote Only