2-Thiophenecarboxylic acid, 5-amino-4-cyano-3-methyl-, methyl ester


Chemical Name: 2-Thiophenecarboxylic acid, 5-amino-4-cyano-3-methyl-, methyl ester
CAS Number: 61320-65-8
Product Number: AG00EA57(AGN-PC-0JTIOM)
Synonyms:
MDL No:
Molecular Formula: C8H8N2O2S
Molecular Weight: 196.2263

Identification/Properties


Properties
BP:
378.8°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
196.224g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
196.031g/mol
Monoisotopic Mass:
196.031g/mol
Topological Polar Surface Area:
104A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
260
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:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H312-H332
Precautionary Statements:
P280
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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