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126889-07-4 | 5-Thiazolecarboxylic acid, 4-ethyl-
CAS No: 126889-07-4 Catalog No: AG000TFF MDL No:MFCD14553998
Product Description
Catalog Number:
AG000TFF
Chemical Name:
5-Thiazolecarboxylic acid, 4-ethyl-
CAS Number:
126889-07-4
Molecular Formula:
C6H7NO2S
Molecular Weight:
157.1903
MDL Number:
MFCD14553998
IUPAC Name:
4-ethyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C6H7NO2S/c1-2-4-5(6(8)9)10-3-7-4/h3H,2H2,1H3,(H,8,9)
InChI Key:
JUJNNKYDFBHNOW-UHFFFAOYSA-N
SMILES:
CCc1ncsc1C(=O)O
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.02g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.187g/mol
Monoisotopic Mass:
157.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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