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29333-76-4 | 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-
CAS No: 29333-76-4 Catalog No: AG002Y37 MDL No:MFCD00100130
Product Description
Catalog Number:
AG002Y37
Chemical Name:
3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-
CAS Number:
29333-76-4
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
MDL Number:
MFCD00100130
IUPAC Name:
2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile
InChI:
InChI=1S/C11H14N2O3/c1-8-6-10(14)13(4-3-5-16-2)11(15)9(8)7-12/h6,15H,3-5H2,1-2H3
InChI Key:
YDUPIWCHIIKASO-UHFFFAOYSA-N
SMILES:
COCCCn1c(O)cc(c(c1=O)C#N)C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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