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113398-02-0 | 1H-Pyrrole-2-carboxylic acid, 1-methyl-, hydrazide
CAS No: 113398-02-0 Catalog No: AG0008EZ MDL No:MFCD00141854
Product Description
Catalog Number:
AG0008EZ
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 1-methyl-, hydrazide
CAS Number:
113398-02-0
Molecular Formula:
C6H9N3O
Molecular Weight:
139.1552
MDL Number:
MFCD00141854
IUPAC Name:
1-methylpyrrole-2-carbohydrazide
InChI:
InChI=1S/C6H9N3O/c1-9-4-2-3-5(9)6(10)8-7/h2-4H,7H2,1H3,(H,8,10)
InChI Key:
JPZLSTHDNAMYND-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cccn1C
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.075g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
139.158g/mol
Monoisotopic Mass:
139.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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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