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522628-98-4 | 2-(3,4-dimethoxyphenyl)-4-(ethoxymethylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione
CAS No: 522628-98-4 Catalog No: AG019HMD MDL No:MFCD03651824
Product Description
Catalog Number:
AG019HMD
Chemical Name:
2-(3,4-dimethoxyphenyl)-4-(ethoxymethylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione
CAS Number:
522628-98-4
Molecular Formula:
C20H19NO5
Molecular Weight:
353.3686
MDL Number:
MFCD03651824
IUPAC Name:
2-(3,4-dimethoxyphenyl)-4-(ethoxymethylidene)isoquinoline-1,3-dione
InChI:
InChI=1S/C20H19NO5/c1-4-26-12-16-14-7-5-6-8-15(14)19(22)21(20(16)23)13-9-10-17(24-2)18(11-13)25-3/h5-12H,4H2,1-3H3
InChI Key:
OKOZJPGBXRUYLB-UHFFFAOYSA-N
SMILES:
CCOC=C1C(=O)N(c2ccc(c(c2)OC)OC)C(=O)c2c1cccc2
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.126g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.374g/mol
Monoisotopic Mass:
353.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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