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1219371-51-3 | 2H-Thiopyran-4-acetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]tetrahydro-, methyl ester, 1,1-dioxide
CAS No: 1219371-51-3 Catalog No: AG0016FS MDL No:MFCD04115503
Product Description
Catalog Number:
AG0016FS
Chemical Name:
2H-Thiopyran-4-acetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]tetrahydro-, methyl ester, 1,1-dioxide
CAS Number:
1219371-51-3
Molecular Formula:
C13H23NO6S
Molecular Weight:
321.3898
MDL Number:
MFCD04115503
IUPAC Name:
methyl 2-(1,1-dioxothian-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
InChI:
InChI=1S/C13H23NO6S/c1-13(2,3)20-12(16)14-10(11(15)19-4)9-5-7-21(17,18)8-6-9/h9-10H,5-8H2,1-4H3,(H,14,16)
InChI Key:
AMGAHYUHOCOXTN-UHFFFAOYSA-N
SMILES:
COC(=O)C(C1CCS(=O)(=O)CC1)NC(=O)OC(C)(C)C
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.125g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.388g/mol
Monoisotopic Mass:
321.125g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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