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115553-92-9 | 2-Thiazolecarboxylic acid, 4-butyl-
CAS No: 115553-92-9 Catalog No: AG000G55 MDL No:
Product Description
Catalog Number:
AG000G55
Chemical Name:
2-Thiazolecarboxylic acid, 4-butyl-
CAS Number:
115553-92-9
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
IUPAC Name:
4-butyl-1,3-thiazole-2-carboxylic acid
InChI:
InChI=1S/C8H11NO2S/c1-2-3-4-6-5-12-7(9-6)8(10)11/h5H,2-4H2,1H3,(H,10,11)
InChI Key:
ZFIWKJHKLOTFNV-UHFFFAOYSA-N
SMILES:
CCCCc1csc(n1)C(=O)O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.241g/mol
Monoisotopic Mass:
185.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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