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15901-66-3 | 5-Isothiazolecarboxylic acid, methyl ester
CAS No: 15901-66-3 Catalog No: AG001QE8 MDL No:MFCD07369963
Product Description
Catalog Number:
AG001QE8
Chemical Name:
5-Isothiazolecarboxylic acid, methyl ester
CAS Number:
15901-66-3
Molecular Formula:
C5H5NO2S
Molecular Weight:
143.1637
MDL Number:
MFCD07369963
IUPAC Name:
methyl 1,2-thiazole-5-carboxylate
InChI:
InChI=1S/C5H5NO2S/c1-8-5(7)4-2-3-6-9-4/h2-3H,1H3
InChI Key:
SEHOXOITNPIETO-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccns1
Properties
Complexity:
118
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:
0
Isotope Atom Count:
0
Molecular Weight:
143.16g/mol
Monoisotopic Mass:
143.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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