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39713-26-3 | (Z)-2-[4-Cyano-1,4-dihydro-1-(phenylmethyl)quinolin-3-yl]-2-butenedioic acid dimethyl ester
CAS No: 39713-26-3 Catalog No: AG00D43J MDL No:
Product Description
Catalog Number:
AG00D43J
Chemical Name:
(Z)-2-[4-Cyano-1,4-dihydro-1-(phenylmethyl)quinolin-3-yl]-2-butenedioic acid dimethyl ester
CAS Number:
39713-26-3
IUPAC Name:
dimethyl (Z)-2-(1-benzyl-4-cyano-4H-quinolin-3-yl)but-2-enedioate
InChI:
InChI=1S/C23H20N2O4/c1-28-22(26)12-18(23(27)29-2)20-15-25(14-16-8-4-3-5-9-16)21-11-7-6-10-17(21)19(20)13-24/h3-12,15,19H,14H2,1-2H3/b18-12-
InChI Key:
BTTKPARGBSYSOZ-PDGQHHTCSA-N
Properties
Complexity:
726
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
388.142g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.423g/mol
Monoisotopic Mass:
388.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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