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88427-97-8 | Benzaldehyde, 4-(2-ethyl-1H-imidazol-1-yl)-
CAS No: 88427-97-8 Catalog No: AG008CUN MDL No:
Product Description
Catalog Number:
AG008CUN
Chemical Name:
Benzaldehyde, 4-(2-ethyl-1H-imidazol-1-yl)-
CAS Number:
88427-97-8
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
IUPAC Name:
4-(2-ethylimidazol-1-yl)benzaldehyde
InChI:
InChI=1S/C12H12N2O/c1-2-12-13-7-8-14(12)11-5-3-10(9-15)4-6-11/h3-9H,2H2,1H3
InChI Key:
YPZOJEVDUBICBM-UHFFFAOYSA-N
SMILES:
CCc1nccn1c1ccc(cc1)C=O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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