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1291487-31-4 | 2-Thia-6-azaspiro[3.3]heptane-6-carboxylic acid, 1,1-dimethylethyl ester, 2,2-dioxide
CAS No: 1291487-31-4 Catalog No: AG000YWJ MDL No:MFCD18839239
Product Description
Catalog Number:
AG000YWJ
Chemical Name:
2-Thia-6-azaspiro[3.3]heptane-6-carboxylic acid, 1,1-dimethylethyl ester, 2,2-dioxide
CAS Number:
1291487-31-4
Molecular Formula:
C10H17NO4S
Molecular Weight:
247.3113
MDL Number:
MFCD18839239
IUPAC Name:
tert-butyl 2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptane-6-carboxylate
InChI:
InChI=1S/C10H17NO4S/c1-9(2,3)15-8(12)11-4-10(5-11)6-16(13,14)7-10/h4-7H2,1-3H3
InChI Key:
SZUIVGVHSGBMMY-UHFFFAOYSA-N
SMILES:
O=C(N1CC2(C1)CS(=O)(=O)C2)OC(C)(C)C
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.088g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.309g/mol
Monoisotopic Mass:
247.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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