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1236409-68-9 | 1-(4-(2-CYANOPROPAN-2-YL)PHENYL)-4-METHOXY-2-OXO-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBONITRILE
CAS No: 1236409-68-9 Catalog No: AG00HHDO MDL No:
Product Description
Catalog Number:
AG00HHDO
Chemical Name:
1-(4-(2-CYANOPROPAN-2-YL)PHENYL)-4-METHOXY-2-OXO-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBONITRILE
CAS Number:
1236409-68-9
IUPAC Name:
1-[4-(2-cyanopropan-2-yl)phenyl]-4-methoxy-6-oxo-2,3-dihydropyridine-5-carbonitrile
InChI:
InChI=1S/C17H17N3O2/c1-17(2,11-19)12-4-6-13(7-5-12)20-9-8-15(22-3)14(10-18)16(20)21/h4-7H,8-9H2,1-3H3
InChI Key:
WZJZXBSBHRIKPL-UHFFFAOYSA-N
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.132g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.342g/mol
Monoisotopic Mass:
295.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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