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400082-56-6 | 1-[6-(tert-butyl)-2-hydroxy-3-pyridinyl]-3-(dimethylamino)-2-propen-1-one
CAS No: 400082-56-6 Catalog No: AG01FOMJ MDL No:
Product Description
Catalog Number:
AG01FOMJ
Chemical Name:
1-[6-(tert-butyl)-2-hydroxy-3-pyridinyl]-3-(dimethylamino)-2-propen-1-one
CAS Number:
400082-56-6
IUPAC Name:
6-tert-butyl-3-[3-(dimethylamino)prop-2-enoyl]-1H-pyridin-2-one
InChI:
InChI=1S/C14H20N2O2/c1-14(2,3)12-7-6-10(13(18)15-12)11(17)8-9-16(4)5/h6-9H,1-5H3,(H,15,18)
InChI Key:
JJLKBGNCFOOOKA-UHFFFAOYSA-N
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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