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89021-15-8 | Imidazo[1,2-a]pyrimidine-3-carboxaldehyde, 2-ethyl-
CAS No: 89021-15-8 Catalog No: AG0044CY MDL No:
Product Description
Catalog Number:
AG0044CY
Chemical Name:
Imidazo[1,2-a]pyrimidine-3-carboxaldehyde, 2-ethyl-
CAS Number:
89021-15-8
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
IUPAC Name:
2-ethylimidazo[1,2-a]pyrimidine-3-carbaldehyde
InChI:
InChI=1S/C9H9N3O/c1-2-7-8(6-13)12-5-3-4-10-9(12)11-7/h3-6H,2H2,1H3
InChI Key:
XRKXKPCJLKZDEC-UHFFFAOYSA-N
SMILES:
CCc1nc2n(c1C=O)cccn2
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.191g/mol
Monoisotopic Mass:
175.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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