Home Aldehydes 1H-Pyrazole-3-carboxaldehyde, 4,5-dimethyl- (9CI)

1H-Pyrazole-3-carboxaldehyde, 4,5-dimethyl- (9CI)

CAS No.:
112466-01-0
Catalog Number:
AG009PW9
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
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Product Description
Catalog Number:
AG009PW9
Chemical Name:
1H-Pyrazole-3-carboxaldehyde, 4,5-dimethyl- (9CI)
CAS Number:
112466-01-0
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
MDL Number:
MFCD18809569
IUPAC Name:
4,5-dimethyl-1H-pyrazole-3-carbaldehyde
InChI:
InChI=1S/C6H8N2O/c1-4-5(2)7-8-6(4)3-9/h3H,1-2H3,(H,7,8)
InChI Key:
BKMWMGKRGOCCQW-UHFFFAOYSA-N
SMILES:
O=Cc1n[nH]c(c1C)C
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:
1  
Isotope Atom Count:
0
Molecular Weight:
124.143g/mol
Monoisotopic Mass:
124.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties