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36050-35-8,MFCD00507024
Catalog No.:AA003HK0
36050-35-8 | 5-Methyl-4-nitrothiophene-2-carboxylic acid
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Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$123.00
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5g
>97%
in stock  
$338.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HK0
Chemical Name:
5-Methyl-4-nitrothiophene-2-carboxylic acid
CAS Number:
36050-35-8
Molecular Formula:
C6H5NO4S
Molecular Weight:
187.1732
MDL Number:
MFCD00507024
IUPAC Name:
5-methyl-4-nitrothiophene-2-carboxylic acid
InChI:
InChI=1S/C6H5NO4S/c1-3-4(7(10)11)2-5(12-3)6(8)9/h2H,1H3,(H,8,9)
InChI Key:
HUDBBNDAVUUGEF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(sc1C)C(=O)O
Properties
Computed 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  

Synonyms
 
36050-35-8 
5-methyl-4-nitrothiophene-2-carboxylic acid 
KS-00000CGT 
DTXSID30389350 
HUDBBNDAVUUGEF-UHFFFAOYSA-N 
ZINC2566472 
6381AJ 
MFCD00507024 
AKOS000664075 
MCULE-2540467629 
TRA0083983 
AJ-41281 
2-METHYL-3-NITROTHIOPHENE-5-CARBOXYLIC ACID 
AS-32438 
SC-27408 
SY005273 
2-Methyl-3-nitrothiophene-5-carboxylicAcid 
AB0050828 
DB-013491 
TC-307132 
5-methyl-4-nitro-2-thiophenecarboxylic acid 
5-methyl-4-nitrothiophene 2-carboxylic acid 
FT-0701364 
5-Methyl-4-nitro-thiophene-2-carboxylic acid 
ST50233426 
5-methyl-4-nitro-2-thiophene carboxylic acid 
5-methyl-4-nitro-2-thiophene-carboxylic acid 
EN300-31379 
K-8089 
MFCD00507024 (97+%) 
SR-01000406224 
SR-01000406224-1 
C6H5NO4S 
CID3110784 
2-Thiophenecarboxylic acid, 5-methyl-4-nitro- 
114344-60-4 
BAS 00529252 
AC1MJDO0 
AC1Q2EIV 
SCHEMBL1242736 
CTK4H5802 
Literature
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