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522628-97-3 | 2-(3,4-dimethylphenyl)-4-(ethoxymethylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione
CAS No: 522628-97-3 Catalog No: AG019HME MDL No:MFCD03651823
Product Description
Catalog Number:
AG019HME
Chemical Name:
2-(3,4-dimethylphenyl)-4-(ethoxymethylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione
CAS Number:
522628-97-3
Molecular Formula:
C20H19NO3
Molecular Weight:
321.3698
MDL Number:
MFCD03651823
IUPAC Name:
2-(3,4-dimethylphenyl)-4-(ethoxymethylidene)isoquinoline-1,3-dione
InChI:
InChI=1S/C20H19NO3/c1-4-24-12-18-16-7-5-6-8-17(16)19(22)21(20(18)23)15-10-9-13(2)14(3)11-15/h5-12H,4H2,1-3H3
InChI Key:
UGFUJFDKZLACMS-UHFFFAOYSA-N
SMILES:
CCOC=C1C(=O)N(c2ccc(c(c2)C)C)C(=O)c2c1cccc2
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.136g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.376g/mol
Monoisotopic Mass:
321.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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