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229343-07-1 | 2-Thiophenecarboxylic acid, 3-methyl-4-nitro-
CAS No: 229343-07-1 Catalog No: AG002LKI MDL No:
Product Description
Catalog Number:
AG002LKI
Chemical Name:
2-Thiophenecarboxylic acid, 3-methyl-4-nitro-
CAS Number:
229343-07-1
Molecular Formula:
C6H5NO4S
Molecular Weight:
187.1732
IUPAC Name:
3-methyl-4-nitrothiophene-2-carboxylic acid
InChI:
InChI=1S/C6H5NO4S/c1-3-4(7(10)11)2-12-5(3)6(8)9/h2H,1H3,(H,8,9)
InChI Key:
UFLMQUYCTZBYQV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1csc(c1C)C(=O)O
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.994g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.169g/mol
Monoisotopic Mass:
186.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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