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158999-14-5 | 9-Octadecen-16-ynoicacid
CAS No: 158999-14-5 Catalog No: AG001R2U MDL No:
Product Description
Catalog Number:
AG001R2U
Chemical Name:
9-Octadecen-16-ynoicacid
CAS Number:
158999-14-5
Molecular Formula:
C18H30O2
Molecular Weight:
278.4296
IUPAC Name:
octadec-9-en-16-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/h9-10H,4-8,11-17H2,1H3,(H,19,20)
InChI Key:
XDYJRCBGFFKBPA-UHFFFAOYSA-N
SMILES:
CC#CCCCCCC=CCCCCCCCC(=O)O
Properties
Complexity:
317
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:
13
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.2
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