3,5-dimethyl-4-nitro-1H-pyrrole-2-carbaldehyde


Chemical Name: 3,5-dimethyl-4-nitro-1H-pyrrole-2-carbaldehyde
CAS Number: 40236-20-2
Product Number: AG00CLK9(AGN-PC-04YV15)
Synonyms:
MDL No:
Molecular Formula: C7H8N2O3
Molecular Weight: 168.1500

Identification/Properties


Computed Properties
Molecular Weight:
168.152g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
168.053g/mol
Monoisotopic Mass:
168.053g/mol
Topological Polar Surface Area:
78.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
201
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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