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13206-31-0 | 4-Thiazolidinecarboxylic acid, 5,5-dimethyl-2-(1-methylethyl)-
CAS No: 13206-31-0 Catalog No: AG001054 MDL No:
Product Description
Catalog Number:
AG001054
Chemical Name:
4-Thiazolidinecarboxylic acid, 5,5-dimethyl-2-(1-methylethyl)-
CAS Number:
13206-31-0
Molecular Formula:
C9H17NO2S
Molecular Weight:
203.3018
IUPAC Name:
5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
InChI:
InChI=1S/C9H17NO2S/c1-5(2)7-10-6(8(11)12)9(3,4)13-7/h5-7,10H,1-4H3,(H,11,12)
InChI Key:
JLLDUMMFTKVTLS-UHFFFAOYSA-N
SMILES:
CC(C1NC(C(S1)(C)C)C(=O)O)C
EC Number:
236-174-1
NSC Number:
120750
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.098g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.3g/mol
Monoisotopic Mass:
203.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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