Home Carboxys 5-formyl-4-methylthiophene-2-carboxylic acid

5-formyl-4-methylthiophene-2-carboxylic acid

CAS No.:
391936-74-6
Catalog Number:
AG00CKJL
Molecular Formula:
C7H6O3S
Molecular Weight:
170.1857
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Product Description
Catalog Number:
AG00CKJL
Chemical Name:
5-formyl-4-methylthiophene-2-carboxylic acid
CAS Number:
391936-74-6
Molecular Formula:
C7H6O3S
Molecular Weight:
170.1857
MDL Number:
MFCD15730654
IUPAC Name:
5-formyl-4-methylthiophene-2-carboxylic acid
InChI:
InChI=1S/C7H6O3S/c1-4-2-5(7(9)10)11-6(4)3-8/h2-3H,1H3,(H,9,10)
InChI Key:
UNBOWFQAUBVHML-UHFFFAOYSA-N
SMILES:
O=Cc1sc(cc1C)C(=O)O
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.004g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.182g/mol
Monoisotopic Mass:
170.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties