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68282-52-0 | 2,5-Dimethyl-1H-imidazole-4-carboxaldehyde
CAS No: 68282-52-0 Catalog No: AG0032ZO MDL No:MFCD19300742
Product Description
Catalog Number:
AG0032ZO
Chemical Name:
2,5-Dimethyl-1H-imidazole-4-carboxaldehyde
CAS Number:
68282-52-0
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
MDL Number:
MFCD19300742
IUPAC Name:
2,5-dimethyl-1H-imidazole-4-carbaldehyde
InChI:
InChI=1S/C6H8N2O/c1-4-6(3-9)8-5(2)7-4/h3H,1-2H3,(H,7,8)
InChI Key:
MFFWADYNIVRMMM-UHFFFAOYSA-N
SMILES:
O=Cc1nc([nH]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:
0.7
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