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400755-43-3 | 1-Ethylpyrazole-5-carboxylic Acid
CAS No: 400755-43-3 Catalog No: AG0032RC MDL No:MFCD02090833
Product Description
Catalog Number:
AG0032RC
Chemical Name:
1-Ethylpyrazole-5-carboxylic Acid
CAS Number:
400755-43-3
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD02090833
IUPAC Name:
2-ethylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C6H8N2O2/c1-2-8-5(6(9)10)3-4-7-8/h3-4H,2H2,1H3,(H,9,10)
InChI Key:
FSMHDKRQCDWWGZ-UHFFFAOYSA-N
SMILES:
CCn1nccc1C(=O)O
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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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