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Home > Other Heterocycles > 176-35-2
176-35-2 | 1,4-Dioxa-7-thiaspiro[4.4]nonane
CAS No: 176-35-2 Catalog No: AG0021CE MDL No:MFCD00068021
Product Description
Catalog Number:
AG0021CE
Chemical Name:
1,4-Dioxa-7-thiaspiro[4.4]nonane
CAS Number:
176-35-2
Molecular Formula:
C6H10O2S
Molecular Weight:
146.2074
MDL Number:
MFCD00068021
IUPAC Name:
1,4-dioxa-7-thiaspiro[4.4]nonane
InChI:
InChI=1S/C6H10O2S/c1-4-9-5-6(1)7-2-3-8-6/h1-5H2
InChI Key:
RQALKBLYTUKBFV-UHFFFAOYSA-N
SMILES:
C1SCC2(C1)OCCO2
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.04g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.204g/mol
Monoisotopic Mass:
146.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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