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164331-38-8 | 1-Piperazinecarboxylic acid, 4-(methylsulfonyl)-, 1,1-dimethylethyl ester
CAS No: 164331-38-8 Catalog No: AG001USX MDL No:MFCD03942726
Product Description
Catalog Number:
AG001USX
Chemical Name:
1-Piperazinecarboxylic acid, 4-(methylsulfonyl)-, 1,1-dimethylethyl ester
CAS Number:
164331-38-8
Molecular Formula:
C10H20N2O4S
Molecular Weight:
264.3418
MDL Number:
MFCD03942726
IUPAC Name:
tert-butyl 4-methylsulfonylpiperazine-1-carboxylate
InChI:
InChI=1S/C10H20N2O4S/c1-10(2,3)16-9(13)11-5-7-12(8-6-11)17(4,14)15/h5-8H2,1-4H3
InChI Key:
KEVJRVHXORTWTR-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)S(=O)(=O)C)OC(C)(C)C
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.114g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.34g/mol
Monoisotopic Mass:
264.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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