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sodium 2-hydroxy-2-methyl-3-oxoicosanoic acid

sodium 2-hydroxy-2-methyl-3-oxoicosanoic acid

Formula: C21H40NaO4

SMILES: [Na+].CCCCCCCCCCCCCCCCCC(=O)C(C)(O)C(O)=O

IUPAC: sodium 2-hydroxy-2-methyl-3-oxoicosanoic acid

InChI: InChI=1/C21H40O4.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(22)21(2,25)20(23)24;/h25H,3-18H2,1-2H3,(H,23,24);/q;+1

Composition: C (66.46%), H (10.62%), Na (6.06%), O (16.86%)

Molar Mass: 379.536

Atom Count: 66

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 379.28188047
Formal Charge 1
FSP3 0.9
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey ZJJXQJFMVZUHGZ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 102.23
Topological Polar Surface Area 74.6
Polarizability 40.61
Ring Count 0
Rotatable Bond Count 18

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Purity (%)
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Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <14 Days C21H40NaO4 Quote Only