Home Aldehydes 1H-Pyrazole-4-carboxaldehyde,2,3-dihydro-5-methyl-3-oxo-(9CI)

1H-Pyrazole-4-carboxaldehyde,2,3-dihydro-5-methyl-3-oxo-(9CI)

CAS No.:
470704-73-5
Catalog Number:
AG00DD8L
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
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Product Description
Catalog Number:
AG00DD8L
Chemical Name:
1H-Pyrazole-4-carboxaldehyde,2,3-dihydro-5-methyl-3-oxo-(9CI)
CAS Number:
470704-73-5
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
IUPAC Name:
3-methyl-5-oxo-1,2-dihydropyrazole-4-carbaldehyde
InChI:
InChI=1S/C5H6N2O2/c1-3-4(2-8)5(9)7-6-3/h2H,1H3,(H2,6,7,9)
InChI Key:
OGYBCDIZEJNBIV-UHFFFAOYSA-N
SMILES:
O=Cc1c(O)[nH]nc1C
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.043g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
126.115g/mol
Monoisotopic Mass:
126.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties