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86120-47-0 | 4-Octadecen-2-yn-1-ol, (E)-
CAS No: 86120-47-0 Catalog No: AG004L2K MDL No:
Product Description
Catalog Number:
AG004L2K
Chemical Name:
4-Octadecen-2-yn-1-ol, (E)-
CAS Number:
86120-47-0
Molecular Formula:
C18H32O
Molecular Weight:
264.4461
IUPAC Name:
octadec-4-en-2-yn-1-ol
InChI:
InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h14-15,19H,2-13,18H2,1H3
InChI Key:
LPVBKKDPBVNELW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC/C=C/C#CCO
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.245g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.453g/mol
Monoisotopic Mass:
264.245g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.2
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