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Home > Aldehydes > 353245-45-1
353245-45-1 | 1H-Pyrazole-3,5-dicarboxaldehyde, 1-methyl-
CAS No: 353245-45-1 Catalog No: AG007DPH MDL No:
Product Description
Catalog Number:
AG007DPH
Chemical Name:
1H-Pyrazole-3,5-dicarboxaldehyde, 1-methyl-
CAS Number:
353245-45-1
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
IUPAC Name:
1-methylpyrazole-3,5-dicarbaldehyde
InChI:
InChI=1S/C6H6N2O2/c1-8-6(4-10)2-5(3-9)7-8/h2-4H,1H3
InChI Key:
RZUDDGKTFLHJDG-UHFFFAOYSA-N
SMILES:
O=Cc1nn(c(c1)C=O)C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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