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89532-73-0 | 3-(1H-Pyrazol-1-yl)propanoic acid
CAS No: 89532-73-0 Catalog No: AG003HZP MDL No:MFCD01822327
Product Description
Catalog Number:
AG003HZP
Chemical Name:
3-(1H-Pyrazol-1-yl)propanoic acid
CAS Number:
89532-73-0
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD01822327
IUPAC Name:
3-pyrazol-1-ylpropanoic acid
InChI:
InChI=1S/C6H8N2O2/c9-6(10)2-5-8-4-1-3-7-8/h1,3-4H,2,5H2,(H,9,10)
InChI Key:
QSTMEFBMAAWLLV-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1cccn1
Properties
Complexity:
127
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:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Synthesis and biological activity of analogues of the antidiabetic/antiobesity agent 3-guanidinopropionic acid: discovery of a novel aminoguanidinoacetic acid antidiabetic agent. | Journal of medicinal chemistry 20010412 |
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