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114670-88-1 | 5-Thiazolecarboxylic acid, 4-acetyl-
CAS No: 114670-88-1 Catalog No: AG000F08 MDL No:
Product Description
Catalog Number:
AG000F08
Chemical Name:
5-Thiazolecarboxylic acid, 4-acetyl-
CAS Number:
114670-88-1
Molecular Formula:
C6H5NO3S
Molecular Weight:
171.1738
IUPAC Name:
4-acetyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C6H5NO3S/c1-3(8)4-5(6(9)10)11-2-7-4/h2H,1H3,(H,9,10)
InChI Key:
MWRXTZRLLJTXLM-UHFFFAOYSA-N
SMILES:
CC(=O)c1ncsc1C(=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:
170.999g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.17g/mol
Monoisotopic Mass:
170.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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