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Home > Pyridines > 338750-83-7
338750-83-7 | 1-benzyl-6-(dimethoxymethyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS No: 338750-83-7 Catalog No: AG00IQF8 MDL No:MFCD00140350
Product Description
Catalog Number:
AG00IQF8
Chemical Name:
1-benzyl-6-(dimethoxymethyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS Number:
338750-83-7
Molecular Formula:
C16H16N2O3
Molecular Weight:
284.3098
MDL Number:
MFCD00140350
IUPAC Name:
1-benzyl-6-(dimethoxymethyl)-2-oxopyridine-3-carbonitrile
InChI:
InChI=1S/C16H16N2O3/c1-20-16(21-2)14-9-8-13(10-17)15(19)18(14)11-12-6-4-3-5-7-12/h3-9,16H,11H2,1-2H3
InChI Key:
TUDPRZKXNXDGPW-UHFFFAOYSA-N
SMILES:
COC(c1ccc(c(=O)n1Cc1ccccc1)C#N)OC
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.315g/mol
Monoisotopic Mass:
284.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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