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14226-95-0 | 3-Thiomorpholinecarboxylic acid, 6-methyl-5-oxo-
CAS No: 14226-95-0 Catalog No: AG001I2I MDL No:
Product Description
Catalog Number:
AG001I2I
Chemical Name:
3-Thiomorpholinecarboxylic acid, 6-methyl-5-oxo-
CAS Number:
14226-95-0
Molecular Formula:
C6H9NO3S
Molecular Weight:
175.2056
IUPAC Name:
6-methyl-5-oxothiomorpholine-3-carboxylic acid
InChI:
InChI=1S/C6H9NO3S/c1-3-5(8)7-4(2-11-3)6(9)10/h3-4H,2H2,1H3,(H,7,8)(H,9,10)
InChI Key:
QJFTZLOJRRSNEI-UHFFFAOYSA-N
SMILES:
CC1SCC(NC1=O)C(=O)O
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.03g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
175.202g/mol
Monoisotopic Mass:
175.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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