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5-Methyl-2-thiophenecarboxylic Acid

Catalog Number
ACM1918792
CAS Number
1918-79-2
Product Name
5-Methyl-2-thiophenecarboxylic Acid
Structure
Category
Electroluminescence Materials
IUPAC Name
5-methylthiophene-2-carboxylic acid
Molecular Weight
142.18g/mol
Molecular Formula
C6H6O2S
Canonical SMILES
CC1=CC=C(S1)C(=O)O
InChI
InChI=1S/C6H6O2S/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H,7,8)
InChI Key
VCNGNQLPFHVODE-UHFFFAOYSA-N
Complexity
124
Covalently-Bonded Unit Count
1
EC Number
217-640-3
Exact Mass
142.008851g/mol
Formal Charge
0
Heavy Atom Count
9
Monoisotopic Mass
142.008851g/mol
NSC Number
89698
Rotatable Bond Count
1
XLogP3
1.9
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