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117240-53-6 | 8-Octadecen-6-ynoic acid, 10-oxo-, (8E)-
CAS No: 117240-53-6 Catalog No: AG000DYU MDL No:
Product Description
Catalog Number:
AG000DYU
Chemical Name:
8-Octadecen-6-ynoic acid, 10-oxo-, (8E)-
CAS Number:
117240-53-6
Molecular Formula:
C18H28O3
Molecular Weight:
292.4131
IUPAC Name:
10-oxooctadec-8-en-6-ynoic acid
InChI:
InChI=1S/C18H28O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h12,15H,2-5,7-8,10-11,13-14,16H2,1H3,(H,20,21)
InChI Key:
FHISTCNLGBJMKN-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=O)/C=C/C#CCCCCC(=O)O
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.204g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.419g/mol
Monoisotopic Mass:
292.204g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5
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