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155480-08-3 | 4-Thiomorpholineacetic acid, 1,1-dioxide
CAS No: 155480-08-3 Catalog No: AG001NYG MDL No:MFCD00121261
Product Description
Catalog Number:
AG001NYG
Chemical Name:
4-Thiomorpholineacetic acid, 1,1-dioxide
CAS Number:
155480-08-3
Molecular Formula:
C6H11NO4S
Molecular Weight:
193.2208
MDL Number:
MFCD00121261
IUPAC Name:
2-(1,1-dioxo-1,4-thiazinan-4-yl)acetic acid
InChI:
InChI=1S/C6H11NO4S/c8-6(9)5-7-1-3-12(10,11)4-2-7/h1-5H2,(H,8,9)
InChI Key:
CEABBIBOUBCOPV-UHFFFAOYSA-N
SMILES:
OC(=O)CN1CCS(=O)(=O)CC1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.217g/mol
Monoisotopic Mass:
193.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.3
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