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Home > Aldehydes > 139964-22-0
139964-22-0 | 1H-Imidazole-5-carboxaldehyde, 4-ethyl-2-propyl-
CAS No: 139964-22-0 Catalog No: AG001BV4 MDL No:
Product Description
Catalog Number:
AG001BV4
Chemical Name:
1H-Imidazole-5-carboxaldehyde, 4-ethyl-2-propyl-
CAS Number:
139964-22-0
Molecular Formula:
C9H14N2O
Molecular Weight:
166.2203
IUPAC Name:
5-ethyl-2-propyl-1H-imidazole-4-carbaldehyde
InChI:
InChI=1S/C9H14N2O/c1-3-5-9-10-7(4-2)8(6-12)11-9/h6H,3-5H2,1-2H3,(H,10,11)
InChI Key:
RVDSTNUDGGIGFN-UHFFFAOYSA-N
SMILES:
CCCc1[nH]c(c(n1)CC)C=O
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.111g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.224g/mol
Monoisotopic Mass:
166.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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