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Home > Aldehydes > 1284220-50-3
1284220-50-3 | 4-methyl-1H-pyrazole-3-carbaldehyde
CAS No: 1284220-50-3 Catalog No: AG009JEU MDL No:MFCD12548027
Product Description
Catalog Number:
AG009JEU
Chemical Name:
4-methyl-1H-pyrazole-3-carbaldehyde
CAS Number:
1284220-50-3
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
MDL Number:
MFCD12548027
IUPAC Name:
4-methyl-1H-pyrazole-5-carbaldehyde
InChI:
InChI=1S/C5H6N2O/c1-4-2-6-7-5(4)3-8/h2-3H,1H3,(H,6,7)
InChI Key:
MHLFPJZIBXEVSD-UHFFFAOYSA-N
SMILES:
Cc1cn[nH]c1C=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
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