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750607-40-0 | 4-(ethoxymethylidene)-2-(4-ethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione
CAS No: 750607-40-0 Catalog No: AG019HMC MDL No:MFCD06420021
Product Description
Catalog Number:
AG019HMC
Chemical Name:
4-(ethoxymethylidene)-2-(4-ethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione
CAS Number:
750607-40-0
Molecular Formula:
C20H19NO4
Molecular Weight:
337.3692
MDL Number:
MFCD06420021
IUPAC Name:
4-(ethoxymethylidene)-2-(4-ethoxyphenyl)isoquinoline-1,3-dione
InChI:
InChI=1S/C20H19NO4/c1-3-24-13-18-16-7-5-6-8-17(16)19(22)21(20(18)23)14-9-11-15(12-10-14)25-4-2/h5-13H,3-4H2,1-2H3
InChI Key:
FGPSWRYXPIUBHG-UHFFFAOYSA-N
SMILES:
CCOC=C1C(=O)N(c2ccc(cc2)OCC)C(=O)c2c1cccc2
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.131g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.375g/mol
Monoisotopic Mass:
337.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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