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17289-26-8 | 1-METHYL-1H-IMIDAZOLE-4-CARBALDEHYDE
CAS No: 17289-26-8 Catalog No: AG00AOLA MDL No:MFCD03411957
Product Description
Catalog Number:
AG00AOLA
Chemical Name:
1-METHYL-1H-IMIDAZOLE-4-CARBALDEHYDE
CAS Number:
17289-26-8
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
MDL Number:
MFCD03411957
IUPAC Name:
1-methylimidazole-4-carbaldehyde
InChI:
InChI=1S/C5H6N2O/c1-7-2-5(3-8)6-4-7/h2-4H,1H3
InChI Key:
CQZXDIHVSPZIGF-UHFFFAOYSA-N
SMILES:
Cn1cc(nc1)C=O
Properties
Complexity:
94.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.116g/mol
Monoisotopic Mass:
110.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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