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19156-50-4 | 3-Thiophenecarboxylic acid, 5-methyl-
CAS No: 19156-50-4 Catalog No: AG002FBR MDL No:MFCD01680229
Product Description
Catalog Number:
AG002FBR
Chemical Name:
3-Thiophenecarboxylic acid, 5-methyl-
CAS Number:
19156-50-4
Molecular Formula:
C6H6O2S
Molecular Weight:
142.1756
MDL Number:
MFCD01680229
IUPAC Name:
5-methylthiophene-3-carboxylic acid
InChI:
InChI=1S/C6H6O2S/c1-4-2-5(3-9-4)6(7)8/h2-3H,1H3,(H,7,8)
InChI Key:
VFORWJLUXKGLAH-UHFFFAOYSA-N
SMILES:
Cc1scc(c1)C(=O)O
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.009g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.172g/mol
Monoisotopic Mass:
142.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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