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3273-44-7 | 5-Methyl-1H-pyrazole-3-carbaldehyde
CAS No: 3273-44-7 Catalog No: AG0034AO MDL No:MFCD09055186
Product Description
Catalog Number:
AG0034AO
Chemical Name:
5-Methyl-1H-pyrazole-3-carbaldehyde
CAS Number:
3273-44-7
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
MDL Number:
MFCD09055186
IUPAC Name:
5-methyl-1H-pyrazole-3-carbaldehyde
InChI:
InChI=1S/C5H6N2O/c1-4-2-5(3-8)7-6-4/h2-3H,1H3,(H,6,7)
InChI Key:
CZAZDIRRZHGKBI-UHFFFAOYSA-N
SMILES:
Cc1cc(n[nH]1)C=O
Properties
Complexity:
94.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
110.116g/mol
Monoisotopic Mass:
110.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Synthesis and characterization of homo- and heterodinuclear M(II)-M'(III) (M(II) = Mn or Fe, M'(III) = Fe or Co) mixed-valence supramolecular pseudo-dimers. The effect of hydrogen bonding on spin state selection of M(II). | Dalton transactions (Cambridge, England : 2003) 20110107 |
| Synthesis and characterization of a spin crossover iron(II)-iron(III) mixed valence supramolecular pseudo-dimer exhibiting chiral recognition, hydrogen bonding, and pi-pi interactions. | Dalton transactions (Cambridge, England : 2003) 20070121 |
| Copper(II) mediated anion dependent formation of Schiff base complexes. | Inorganic chemistry 20050530 |
| Novel copper(II) induced formation of a porphyrinogen derivative: X-ray structural, spectroscopic, and electrochemical studies of porphyrinogen complexes of Cu(II) and Co(III) complex of a trispyrazolyl tripodal ligand. | Inorganic chemistry 20021104 |
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