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25222-43-9 | 1H-Pyrazole-4-methanol
CAS No: 25222-43-9 Catalog No: AG002QYL MDL No:MFCD06797673
Product Description
Catalog Number:
AG002QYL
Chemical Name:
1H-Pyrazole-4-methanol
CAS Number:
25222-43-9
Molecular Formula:
C4H6N2O
Molecular Weight:
98.1032
MDL Number:
MFCD06797673
IUPAC Name:
1H-pyrazol-4-ylmethanol
InChI:
InChI=1S/C4H6N2O/c7-3-4-1-5-6-2-4/h1-2,7H,3H2,(H,5,6)
InChI Key:
JRMKJOOJKCAEJK-UHFFFAOYSA-N
SMILES:
OCc1c[nH]nc1
UNII:
5Z3Y85WYBN
Properties
Complexity:
57.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.048g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
98.105g/mol
Monoisotopic Mass:
98.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of two series of 4'-aza-carbocyclic nucleosides as adenosine A2A receptor agonists. | Bioorganic & medicinal chemistry letters 20100201 |
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