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1899-05-4 | 1-Oxa-6-thiacycloheptadecan-17-one
CAS No: 1899-05-4 Catalog No: AG002E44 MDL No:
Product Description
Catalog Number:
AG002E44
Chemical Name:
1-Oxa-6-thiacycloheptadecan-17-one
CAS Number:
1899-05-4
Molecular Formula:
C15H28O2S
Molecular Weight:
272.4466
IUPAC Name:
1-oxa-6-thiacycloheptadecan-17-one
InChI:
InChI=1S/C15H28O2S/c16-15-11-7-5-3-1-2-4-6-9-13-18-14-10-8-12-17-15/h1-14H2
InChI Key:
BFQGVDDCANBDQU-UHFFFAOYSA-N
SMILES:
O=C1CCCCCCCCCCSCCCCO1
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.181g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.447g/mol
Monoisotopic Mass:
272.181g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| Conformational analysis of thioether musks using density functional theory. | International journal of molecular sciences 20090801 |
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