1H-Imidazole-2-carboxaldehyde, 1-methyl-


Chemical Name: 1H-Imidazole-2-carboxaldehyde, 1-methyl-
CAS Number: 13750-81-7
Product Number: AG0013EM(AGN-PC-0JMQT7)
Synonyms:
MDL No:
Molecular Formula: C5H6N2O
Molecular Weight: 110.1139

Identification/Properties


Computed Properties
Molecular Weight:
110.116g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
110.048g/mol
Monoisotopic Mass:
110.048g/mol
Topological Polar Surface Area:
34.9A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
94.4
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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