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840504-40-7 | 5-(methoxymethyl)-1H-pyrazole-3-carboxylic acid
CAS No: 840504-40-7 Catalog No: AG01FLAP MDL No:
Product Description
Catalog Number:
AG01FLAP
Chemical Name:
5-(methoxymethyl)-1H-pyrazole-3-carboxylic acid
CAS Number:
840504-40-7
IUPAC Name:
5-(methoxymethyl)-1H-pyrazole-3-carboxylic acid
InChI:
InChI=1S/C6H8N2O3/c1-11-3-4-2-5(6(9)10)8-7-4/h2H,3H2,1H3,(H,7,8)(H,9,10)
InChI Key:
UAJNGJPTGMEKLM-UHFFFAOYSA-N
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.141g/mol
Monoisotopic Mass:
156.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Agonist lead identification for the high affinity niacin receptor GPR109a. | Bioorganic & medicinal chemistry letters 20070901 |
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