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1408075-35-3 | 5-Thiazolecarboxylic acid, 2-formyl-, methyl ester
CAS No: 1408075-35-3 Catalog No: AG001CTZ MDL No:MFCD22414490
Product Description
Catalog Number:
AG001CTZ
Chemical Name:
5-Thiazolecarboxylic acid, 2-formyl-, methyl ester
CAS Number:
1408075-35-3
Molecular Formula:
C6H5NO3S
Molecular Weight:
171.1738
MDL Number:
MFCD22414490
IUPAC Name:
methyl 2-formyl-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C6H5NO3S/c1-10-6(9)4-2-7-5(3-8)11-4/h2-3H,1H3
InChI Key:
ITBUZSKNECHXNJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(s1)C=O
Properties
Complexity:
173
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:
0
Isotope Atom Count:
0
Molecular Weight:
171.17g/mol
Monoisotopic Mass:
170.999g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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