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Home > Aldehydes > 583887-01-8
583887-01-8 | 1-benzyl-5-(benzyloxy)-4-oxo-1,4-dihydropyridine-2-carbaldehyde
CAS No: 583887-01-8 Catalog No: AG01B7AW MDL No:MFCD04122660
Product Description
Catalog Number:
AG01B7AW
Chemical Name:
1-benzyl-5-(benzyloxy)-4-oxo-1,4-dihydropyridine-2-carbaldehyde
CAS Number:
583887-01-8
Molecular Formula:
C20H17NO3
Molecular Weight:
319.3539
MDL Number:
MFCD04122660
IUPAC Name:
1-benzyl-4-oxo-5-phenylmethoxypyridine-2-carbaldehyde
InChI:
InChI=1S/C20H17NO3/c22-14-18-11-19(23)20(24-15-17-9-5-2-6-10-17)13-21(18)12-16-7-3-1-4-8-16/h1-11,13-14H,12,15H2
InChI Key:
MCMWLNPZJNPWFC-UHFFFAOYSA-N
SMILES:
O=Cc1cc(=O)c(cn1Cc1ccccc1)OCc1ccccc1
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.121g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.36g/mol
Monoisotopic Mass:
319.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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