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Home > Aldehydes > 1714962-68-1
1714962-68-1 | 1-methyl-2-(propan-2-yl)-1H-imidazole-5-carbaldehyde
CAS No: 1714962-68-1 Catalog No: AG01BW2V MDL No:MFCD22394234
Product Description
Catalog Number:
AG01BW2V
Chemical Name:
1-methyl-2-(propan-2-yl)-1H-imidazole-5-carbaldehyde
CAS Number:
1714962-68-1
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD22394234
IUPAC Name:
3-methyl-2-propan-2-ylimidazole-4-carbaldehyde
InChI:
InChI=1S/C8H12N2O/c1-6(2)8-9-4-7(5-11)10(8)3/h4-6H,1-3H3
InChI Key:
KGGQRGNVKSCPCO-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(n1C)C(C)C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.197g/mol
Monoisotopic Mass:
152.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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