Home Aldehydes 1,4-dimethyl-1H-pyrazole-5-carbaldehyde

1,4-dimethyl-1H-pyrazole-5-carbaldehyde

CAS No.:
1171645-70-7
Catalog Number:
AG00J1W6
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
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Product Description
Catalog Number:
AG00J1W6
Chemical Name:
1,4-dimethyl-1H-pyrazole-5-carbaldehyde
CAS Number:
1171645-70-7
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
MDL Number:
MFCD11506567
IUPAC Name:
2,4-dimethylpyrazole-3-carbaldehyde
InChI:
InChI=1S/C6H8N2O/c1-5-3-7-8(2)6(5)4-9/h3-4H,1-2H3
InChI Key:
LGRBNVXIPYCEFL-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)cnn1C
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.064g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.143g/mol
Monoisotopic Mass:
124.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties