4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxylic acid


Chemical Name: 4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxylic acid
CAS Number: 871547-64-7
Product Number: AG00IEE2(AGN-PC-0LWTIF)
Synonyms:
MDL No:
Molecular Formula: C9H8N2O2S
Molecular Weight: 208.2370

Identification/Properties


Computed Properties
Molecular Weight:
208.235g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
208.031g/mol
Monoisotopic Mass:
208.031g/mol
Topological Polar Surface Area:
94.2A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
237
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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