200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 113825-16-4
113825-16-4 | 1H-Imidazole-2-carboxaldehyde, 5-methyl-
CAS No: 113825-16-4 Catalog No: AG0009TR MDL No:MFCD05864565
Product Description
Catalog Number:
AG0009TR
Chemical Name:
1H-Imidazole-2-carboxaldehyde, 5-methyl-
CAS Number:
113825-16-4
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
MDL Number:
MFCD05864565
IUPAC Name:
5-methyl-1H-imidazole-2-carbaldehyde
InChI:
InChI=1S/C5H6N2O/c1-4-2-6-5(3-8)7-4/h2-3H,1H3,(H,6,7)
InChI Key:
AEYQOYLTLFOCHR-UHFFFAOYSA-N
SMILES:
Cc1cnc([nH]1)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:
1
Isotope Atom Count:
0
Molecular Weight:
110.116g/mol
Monoisotopic Mass:
110.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.