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7373-13-9 | 2-Octadecanone
CAS No: 7373-13-9 Catalog No: AG003HTL MDL No:
Product Description
Catalog Number:
AG003HTL
Chemical Name:
2-Octadecanone
CAS Number:
7373-13-9
IUPAC Name:
octadecan-2-one
InChI:
InChI=1S/C18H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19/h3-17H2,1-2H3
InChI Key:
PJLJQAWUAPNCJC-UHFFFAOYSA-N
NSC Number:
101084
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.277g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.485g/mol
Monoisotopic Mass:
268.277g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
Literature
| Title | Journal |
|---|---|
| Chemical boundaries for detection of eye irritation in humans from homologous vapors. | Toxicological sciences : an official journal of the Society of Toxicology 20060601 |
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