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88191-42-8 | 3-Octadecen-5-one
CAS No: 88191-42-8 Catalog No: AG004C66 MDL No:
Product Description
Catalog Number:
AG004C66
Chemical Name:
3-Octadecen-5-one
CAS Number:
88191-42-8
Molecular Formula:
C18H34O
Molecular Weight:
266.4620
IUPAC Name:
octadec-3-en-5-one
InChI:
InChI=1S/C18H34O/c1-3-5-7-8-9-10-11-12-13-14-15-17-18(19)16-6-4-2/h6,16H,3-5,7-15,17H2,1-2H3
InChI Key:
MJLDPOINLHDGSC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC(=O)C=CCC
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.261g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.469g/mol
Monoisotopic Mass:
266.261g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.4
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