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Home Aldehydes 2,5-Dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrole-3-carbaldehyde

2,5-Dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrole-3-carbaldehyde

CAS No.:
453557-49-8
Catalog Number:
AG00DCYO
Molecular Formula:
C9H10N4O
Molecular Weight:
190.2019
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
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Product Description
Catalog Number:
AG00DCYO
Chemical Name:
2,5-Dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrole-3-carbaldehyde
CAS Number:
453557-49-8
Molecular Formula:
C9H10N4O
Molecular Weight:
190.2019
MDL Number:
MFCD02187166
IUPAC Name:
2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrole-3-carbaldehyde
InChI:
InChI=1S/C9H10N4O/c1-7-3-9(4-14)8(2)13(7)12-5-10-11-6-12/h3-6H,1-2H3
InChI Key:
PXZWZLYLNTZEBR-UHFFFAOYSA-N
SMILES:
O=Cc1cc(n(c1C)n1cnnc1)C
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.085g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.206g/mol
Monoisotopic Mass:
190.085g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties