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1272412-70-0 | 2-Thia-6-azaspiro[3.3]heptane-6-carboxylic acid, 1,1-dimethylethyl ester
CAS No: 1272412-70-0 Catalog No: AG000WSN MDL No:MFCD18782892
Product Description
Catalog Number:
AG000WSN
Chemical Name:
2-Thia-6-azaspiro[3.3]heptane-6-carboxylic acid, 1,1-dimethylethyl ester
CAS Number:
1272412-70-0
Molecular Formula:
C10H17NO2S
Molecular Weight:
215.3125
MDL Number:
MFCD18782892
IUPAC Name:
tert-butyl 2-thia-6-azaspiro[3.3]heptane-6-carboxylate
InChI:
InChI=1S/C10H17NO2S/c1-9(2,3)13-8(12)11-4-10(5-11)6-14-7-10/h4-7H2,1-3H3
InChI Key:
LTBYDCPCBXIEFT-UHFFFAOYSA-N
SMILES:
O=C(N1CC2(C1)CSC2)OC(C)(C)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.098g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.311g/mol
Monoisotopic Mass:
215.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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