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166664-87-5 | 9-Octadecen-17-ynoic acid
CAS No: 166664-87-5 Catalog No: AG001WVP MDL No:
Product Description
Catalog Number:
AG001WVP
Chemical Name:
9-Octadecen-17-ynoic acid
CAS Number:
166664-87-5
Molecular Formula:
C18H30O2
Molecular Weight:
278.4296
IUPAC Name:
octadec-9-en-17-ynoic acid
InChI:
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h1,9-10H,3-8,11-17H2,(H,19,20)
InChI Key:
GUWNXWGQBCLLBN-UHFFFAOYSA-N
SMILES:
C#CCCCCCCC=CCCCCCCCC(=O)O
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.225g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.436g/mol
Monoisotopic Mass:
278.225g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.2
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