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13084-13-4 | 2-Thiazolidinecarboxylic acid, 2-methyl-
CAS No: 13084-13-4 Catalog No: AG000V0G MDL No:
Product Description
Catalog Number:
AG000V0G
Chemical Name:
2-Thiazolidinecarboxylic acid, 2-methyl-
CAS Number:
13084-13-4
Molecular Formula:
C5H9NO2S
Molecular Weight:
147.1955
IUPAC Name:
2-methyl-1,3-thiazolidine-2-carboxylic acid
InChI:
InChI=1S/C5H9NO2S/c1-5(4(7)8)6-2-3-9-5/h6H,2-3H2,1H3,(H,7,8)
InChI Key:
VSLZHFWGCVPVOO-UHFFFAOYSA-N
SMILES:
OC(=O)C1(C)NCCS1
NSC Number:
112683
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.035g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
147.192g/mol
Monoisotopic Mass:
147.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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