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Home > Aldehydes > 209002-03-9
209002-03-9 | 1H-Pyrazole-3-carboxaldehyde, dimer (9CI)
CAS No: 209002-03-9 Catalog No: AG002K0G MDL No:
Product Description
Catalog Number:
AG002K0G
Chemical Name:
1H-Pyrazole-3-carboxaldehyde, dimer (9CI)
CAS Number:
209002-03-9
IUPAC Name:
1H-pyrazole-5-carbaldehyde
InChI:
InChI=1S/C4H4N2O/c7-3-4-1-2-5-6-4/h1-3H,(H,5,6)
InChI Key:
ICFGFAUMBISMLR-UHFFFAOYSA-N
Properties
Complexity:
74.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.032g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
96.089g/mol
Monoisotopic Mass:
96.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Enhancing the reaction rates of Morita-Baylis-Hillman reaction in heterocyclic aldehydes by substitutions. | Chemphyschem : a European journal of chemical physics and physical chemistry 20121112 |
| (2E)-3-(1,3-Diphenyl-1H-pyrazol-4-yl)-1-phenyl-prop-2-en-1-one. | Acta crystallographica. Section E, Structure reports online 20110701 |
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