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15901-61-8 | 5-Isothiazolecarboxylic acid, 4-methyl-
CAS No: 15901-61-8 Catalog No: AG001QE9 MDL No:MFCD09965921
Product Description
Catalog Number:
AG001QE9
Chemical Name:
5-Isothiazolecarboxylic acid, 4-methyl-
CAS Number:
15901-61-8
Molecular Formula:
C5H5NO2S
Molecular Weight:
143.1637
MDL Number:
MFCD09965921
IUPAC Name:
4-methyl-1,2-thiazole-5-carboxylic acid
InChI:
InChI=1S/C5H5NO2S/c1-3-2-6-9-4(3)5(7)8/h2H,1H3,(H,7,8)
InChI Key:
JFMUIWOBVJVUAS-UHFFFAOYSA-N
SMILES:
Cc1cnsc1C(=O)O
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.004g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.16g/mol
Monoisotopic Mass:
143.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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