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18294-80-9 | 9,15-Octadecadiynoic acid
CAS No: 18294-80-9 Catalog No: AG0024AA MDL No:
Product Description
Catalog Number:
AG0024AA
Chemical Name:
9,15-Octadecadiynoic acid
CAS Number:
18294-80-9
Molecular Formula:
C18H28O2
Molecular Weight:
276.4137
IUPAC Name:
octadeca-9,15-diynoic acid
InChI:
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2,5-8,11-17H2,1H3,(H,19,20)
InChI Key:
KDSXNWFNVYTBGR-UHFFFAOYSA-N
SMILES:
CCC#CCCCCC#CCCCCCCCC(=O)O
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.209g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.42g/mol
Monoisotopic Mass:
276.209g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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