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1297537-45-1 | 1H-Pyrazole-3-carboxylic acid, 5-acetyl-
CAS No: 1297537-45-1 Catalog No: AG000TMP MDL No:MFCD05864511
Product Description
Catalog Number:
AG000TMP
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-acetyl-
CAS Number:
1297537-45-1
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
MDL Number:
MFCD05864511
IUPAC Name:
3-acetyl-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C6H6N2O3/c1-3(9)4-2-5(6(10)11)8-7-4/h2H,1H3,(H,7,8)(H,10,11)
InChI Key:
HFBWRCZRDIVAMQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]c(c1)C(=O)C
EC Number:
807-591-1
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.038g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
154.125g/mol
Monoisotopic Mass:
154.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Agonist lead identification for the high affinity niacin receptor GPR109a. | Bioorganic & medicinal chemistry letters 20070901 |
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