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Home > Other Heterocycles > 1094231-96-5
1094231-96-5 | 2-thia-7-azaspiro[4.4]nonane-6,8-dione
CAS No: 1094231-96-5 Catalog No: AG01A7R4 MDL No:MFCD11207850
Product Description
Catalog Number:
AG01A7R4
Chemical Name:
2-thia-7-azaspiro[4.4]nonane-6,8-dione
CAS Number:
1094231-96-5
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
MDL Number:
MFCD11207850
IUPAC Name:
7-thia-2-azaspiro[4.4]nonane-1,3-dione
InChI:
InChI=1S/C7H9NO2S/c9-5-3-7(6(10)8-5)1-2-11-4-7/h1-4H2,(H,8,9,10)
InChI Key:
NSQVQHZPFVQGBJ-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C2(C1)CSCC2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.035g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.214g/mol
Monoisotopic Mass:
171.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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