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16708-09-1 | 2,4-Thiazolidinedicarboxylic acid, 2-methyl-
CAS No: 16708-09-1 Catalog No: AG001X45 MDL No:MFCD20638661
Product Description
Catalog Number:
AG001X45
Chemical Name:
2,4-Thiazolidinedicarboxylic acid, 2-methyl-
CAS Number:
16708-09-1
Molecular Formula:
C6H9NO4S
Molecular Weight:
191.2050
MDL Number:
MFCD20638661
IUPAC Name:
2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid
InChI:
InChI=1S/C6H9NO4S/c1-6(5(10)11)7-3(2-12-6)4(8)9/h3,7H,2H2,1H3,(H,8,9)(H,10,11)
InChI Key:
JCAKCGQZNBEITC-UHFFFAOYSA-N
SMILES:
OC(=O)C1CSC(N1)(C)C(=O)O
NSC Number:
108912
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
191.201g/mol
Monoisotopic Mass:
191.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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