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72342-44-0 | 7-Oxa-3-thia-15-azadispiro[5.1.5.2]pentadecane, 15-acetyl-
CAS No: 72342-44-0 Catalog No: AG0067F9 MDL No:
Product Description
Catalog Number:
AG0067F9
Chemical Name:
7-Oxa-3-thia-15-azadispiro[5.1.5.2]pentadecane, 15-acetyl-
CAS Number:
72342-44-0
Molecular Formula:
C14H23NO2S
Molecular Weight:
269.4029
IUPAC Name:
1-(7-oxa-11-thia-14-azadispiro[5.1.58.26]pentadecan-14-yl)ethanone
InChI:
InChI=1S/C14H23NO2S/c1-12(16)15-11-13(5-3-2-4-6-13)17-14(15)7-9-18-10-8-14/h2-11H2,1H3
InChI Key:
JBFCDGGDLDNPKY-UHFFFAOYSA-N
SMILES:
CC(=O)N1CC2(OC31CCSCC3)CCCCC2
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.145g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.403g/mol
Monoisotopic Mass:
269.145g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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