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NSC58091,50514-84-6, 8-heptylselanyloctanoic acid,Canonical SMILES: CC

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摘 要:NSC58091,50514-84-6, 8-heptylselanyloctanoic acid,Canonical SMILES: CCCCCCC[Se]CCCCCCCC(=O)O,InChI: InChI=1/C15H30O2Se/c1-2-3-4-7-10-13-18-14-11-8-5-6-9-12-15(16)17/h2-,14H2,1H3,(H,16,17)/f/h16H,Molecular Weight321.3575 [g/mol]Molecular FormulaC15H30
[Synonyms]
NSC58091
50514-84-6

[Structure]
NSC58091,50514-84-6, 8-heptylselanyloctanoic acid,Canonical SMILES: CC

[ Properties Computed from Structure]
Molecular Weight321.3575 [g/mol]
Molecular FormulaC15H30O2Se
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count14
Exact Mass322.141102
MonoIsotopic Mass322.141102
Topological Polar Surface Area37.3
Heavy Atom Count18
Formal Charge0
Complexity183
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 8-heptylselanyloctanoic acid
Canonical SMILES: CCCCCCC[Se]CCCCCCCC(=O)O
InChI: InChI=1/C15H30O2Se/c1-2-3-4-7-10-13-18-14-11-8-5-6-9-12-15(16)17/h2-
14H2,1H3,(H,16,17)/f/h16H

 
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