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14597-58-1 | 2-Thiophenecarboxylic acid, 5-amino-, methyl ester
CAS No: 14597-58-1 Catalog No: AG001DKU MDL No:MFCD07687259
Product Description
Catalog Number:
AG001DKU
Chemical Name:
2-Thiophenecarboxylic acid, 5-amino-, methyl ester
CAS Number:
14597-58-1
Molecular Formula:
C6H7NO2S
Molecular Weight:
157.1903
MDL Number:
MFCD07687259
IUPAC Name:
methyl 5-aminothiophene-2-carboxylate
InChI:
InChI=1S/C6H7NO2S/c1-9-6(8)4-2-3-5(7)10-4/h2-3H,7H2,1H3
InChI Key:
NNQTUMGJWXJMIR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(s1)N
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.02g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.187g/mol
Monoisotopic Mass:
157.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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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