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88634-80-4 | 1H-Imidazole-5-carboxaldehyde,2-ethyl-4-methyl-
CAS No: 88634-80-4 Catalog No: AG004A72 MDL No:MFCD00173727
Product Description
Catalog Number:
AG004A72
Chemical Name:
1H-Imidazole-5-carboxaldehyde,2-ethyl-4-methyl-
CAS Number:
88634-80-4
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
MDL Number:
MFCD00173727
IUPAC Name:
2-ethyl-5-methyl-1H-imidazole-4-carbaldehyde
InChI:
InChI=1S/C7H10N2O/c1-3-7-8-5(2)6(4-10)9-7/h4H,3H2,1-2H3,(H,8,9)
InChI Key:
RLBMKAXUSJOVJI-UHFFFAOYSA-N
SMILES:
CCc1nc(c([nH]1)C=O)C
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.17g/mol
Monoisotopic Mass:
138.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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