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100905-26-8 | 18-Nonadecen-7-yn-9-one
CAS No: 100905-26-8 Catalog No: AG00035E MDL No:
Product Description
Catalog Number:
AG00035E
Chemical Name:
18-Nonadecen-7-yn-9-one
CAS Number:
100905-26-8
Molecular Formula:
C19H32O
Molecular Weight:
276.4568
IUPAC Name:
nonadec-18-en-7-yn-9-one
InChI:
InChI=1S/C19H32O/c1-3-5-7-9-11-12-14-16-18-19(20)17-15-13-10-8-6-4-2/h3H,1,4-14,16,18H2,2H3
InChI Key:
SAOBXCFTTWEMLG-UHFFFAOYSA-N
SMILES:
CCCCCCC#CC(=O)CCCCCCCCC=C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.245g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.464g/mol
Monoisotopic Mass:
276.245g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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