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Home > Other Heterocycles > 70015-94-0
70015-94-0 | 1-Oxa-4-thiaspiro[4.11]hexadecane
CAS No: 70015-94-0 Catalog No: AG005RI2 MDL No:
Product Description
Catalog Number:
AG005RI2
Chemical Name:
1-Oxa-4-thiaspiro[4.11]hexadecane
CAS Number:
70015-94-0
Molecular Formula:
C14H26OS
Molecular Weight:
242.4206
IUPAC Name:
1-oxa-4-thiaspiro[4.11]hexadecane
InChI:
InChI=1S/C14H26OS/c1-2-4-6-8-10-14(15-12-13-16-14)11-9-7-5-3-1/h1-13H2
InChI Key:
YQZMWEDOGHWYKR-UHFFFAOYSA-N
SMILES:
C1CCCCCCCC2(CCC1)OCCS2
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.17g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.421g/mol
Monoisotopic Mass:
242.17g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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