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89639-74-7 | 3,4-Dimethylthiophene-2-carboxylic acid
CAS No: 89639-74-7 Catalog No: AG003W3G MDL No:MFCD14706135
Product Description
Catalog Number:
AG003W3G
Chemical Name:
3,4-Dimethylthiophene-2-carboxylic acid
CAS Number:
89639-74-7
Molecular Formula:
C7H8O2S
Molecular Weight:
156.2022
MDL Number:
MFCD14706135
IUPAC Name:
3,4-dimethylthiophene-2-carboxylic acid
InChI:
InChI=1S/C7H8O2S/c1-4-3-10-6(5(4)2)7(8)9/h3H,1-2H3,(H,8,9)
InChI Key:
RPZBMBIIOOKZMB-UHFFFAOYSA-N
SMILES:
OC(=O)c1scc(c1C)C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.199g/mol
Monoisotopic Mass:
156.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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