Home Carboxys 3-methyl-2,5-Thiophenedicarboxylic acid

3-methyl-2,5-Thiophenedicarboxylic acid

CAS No.:
89677-40-7
Catalog Number:
AG00H4F9
Molecular Formula:
C7H6O4S
Molecular Weight:
186.1851
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Product Description
Catalog Number:
AG00H4F9
Chemical Name:
3-methyl-2,5-Thiophenedicarboxylic acid
CAS Number:
89677-40-7
Molecular Formula:
C7H6O4S
Molecular Weight:
186.1851
MDL Number:
MFCD20647920
IUPAC Name:
3-methylthiophene-2,5-dicarboxylic acid
InChI:
InChI=1S/C7H6O4S/c1-3-2-4(6(8)9)12-5(3)7(10)11/h2H,1H3,(H,8,9)(H,10,11)
InChI Key:
LKJFFKJAHDRBEP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(c(s1)C(=O)O)C
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.999g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
186.181g/mol
Monoisotopic Mass:
185.999g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties