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699012-99-2 | 3-Octadecen-2-one
CAS No: 699012-99-2 Catalog No: AG005H2C MDL No:
Product Description
Catalog Number:
AG005H2C
Chemical Name:
3-Octadecen-2-one
CAS Number:
699012-99-2
Molecular Formula:
C18H34O
Molecular Weight:
266.4620
IUPAC Name:
octadec-3-en-2-one
InChI:
InChI=1S/C18H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19/h16-17H,3-15H2,1-2H3
InChI Key:
UQUJIRNUOSVCEF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCC=CC(=O)C
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:
7.7
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