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68612-94-2 | 6-hydroxy-1-(3-isopropoxypropyl)-4-methyl-2-oxo-pyridine-3-carbonitrile
CAS No: 68612-94-2 Catalog No: AG019D3M MDL No:MFCD06658232
Product Description
Catalog Number:
AG019D3M
Chemical Name:
6-hydroxy-1-(3-isopropoxypropyl)-4-methyl-2-oxo-pyridine-3-carbonitrile
CAS Number:
68612-94-2
MDL Number:
MFCD06658232
IUPAC Name:
2-hydroxy-4-methyl-6-oxo-1-(3-propan-2-yloxypropyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C13H18N2O3/c1-9(2)18-6-4-5-15-12(16)7-10(3)11(8-14)13(15)17/h7,9,17H,4-6H2,1-3H3
InChI Key:
PTPMVSMJQWEBHQ-UHFFFAOYSA-N
EC Number:
411-990-2
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.298g/mol
Monoisotopic Mass:
250.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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