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88642-02-8 | Cyclononadecenone
CAS No: 88642-02-8 Catalog No: AG004928 MDL No:
Product Description
Catalog Number:
AG004928
Chemical Name:
Cyclononadecenone
CAS Number:
88642-02-8
Molecular Formula:
C19H34O
Molecular Weight:
278.4727
IUPAC Name:
cyclononadec-2-en-1-one
InChI:
InChI=1S/C19H34O/c20-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-19/h15,17H,1-14,16,18H2
InChI Key:
DDQSUDWCNQETJW-UHFFFAOYSA-N
SMILES:
O=C1CCCCCCCCCCCCCCCCC=C1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.261g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.48g/mol
Monoisotopic Mass:
278.261g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.9
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