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Home > Other Heterocycles > 6007-75-6
6007-75-6 | 2-oxa-7-thiaspiro[4.4]nonane-1,3-dione
CAS No: 6007-75-6 Catalog No: AG01A80G MDL No:MFCD11134348
Product Description
Catalog Number:
AG01A80G
Chemical Name:
2-oxa-7-thiaspiro[4.4]nonane-1,3-dione
CAS Number:
6007-75-6
Molecular Formula:
C7H8O3S
Molecular Weight:
172.2016
MDL Number:
MFCD11134348
IUPAC Name:
2-oxa-7-thiaspiro[4.4]nonane-1,3-dione
InChI:
InChI=1S/C7H8O3S/c8-5-3-7(6(9)10-5)1-2-11-4-7/h1-4H2
InChI Key:
PPOSGRJOBHVEJV-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C2(C1)CSCC2
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.019g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.198g/mol
Monoisotopic Mass:
172.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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