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1000342-02-8 | 4-Thiomorpholinebutanoic acid, methyl ester, 1,1-dioxide
CAS No: 1000342-02-8 Catalog No: AG0000J4 MDL No:MFCD09880001
Product Description
Catalog Number:
AG0000J4
Chemical Name:
4-Thiomorpholinebutanoic acid, methyl ester, 1,1-dioxide
CAS Number:
1000342-02-8
Molecular Formula:
C9H17NO4S
Molecular Weight:
235.3006
MDL Number:
MFCD09880001
IUPAC Name:
methyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)butanoate
InChI:
InChI=1S/C9H17NO4S/c1-14-9(11)3-2-4-10-5-7-15(12,13)8-6-10/h2-8H2,1H3
InChI Key:
CQICLVQXIJLFDG-UHFFFAOYSA-N
SMILES:
COC(=O)CCCN1CCS(=O)(=O)CC1
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.088g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.298g/mol
Monoisotopic Mass:
235.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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