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331949-98-5 | 4-(ethoxymethylidene)-2-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione
CAS No: 331949-98-5 Catalog No: AG019H9L MDL No:MFCD01115833
Product Description
Catalog Number:
AG019H9L
Chemical Name:
4-(ethoxymethylidene)-2-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione
CAS Number:
331949-98-5
Molecular Formula:
C19H17NO3
Molecular Weight:
307.3432
MDL Number:
MFCD01115833
IUPAC Name:
4-(ethoxymethylidene)-2-(4-methylphenyl)isoquinoline-1,3-dione
InChI:
InChI=1S/C19H17NO3/c1-3-23-12-17-15-6-4-5-7-16(15)18(21)20(19(17)22)14-10-8-13(2)9-11-14/h4-12H,3H2,1-2H3
InChI Key:
TVUWMRNEJNELGL-UHFFFAOYSA-N
SMILES:
CCOC=C1C(=O)N(c2ccc(cc2)C)C(=O)c2c1cccc2
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.121g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.349g/mol
Monoisotopic Mass:
307.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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