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750601-20-8 | 4-(ethoxymethylidene)-2-(pyridin-2-yl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione
CAS No: 750601-20-8 Catalog No: AG019HMF MDL No:MFCD07366298
Product Description
Catalog Number:
AG019HMF
Chemical Name:
4-(ethoxymethylidene)-2-(pyridin-2-yl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione
CAS Number:
750601-20-8
Molecular Formula:
C17H14N2O3
Molecular Weight:
294.3047
MDL Number:
MFCD07366298
IUPAC Name:
4-(ethoxymethylidene)-2-pyridin-2-ylisoquinoline-1,3-dione
InChI:
InChI=1S/C17H14N2O3/c1-2-22-11-14-12-7-3-4-8-13(12)16(20)19(17(14)21)15-9-5-6-10-18-15/h3-11H,2H2,1H3
InChI Key:
SUYADTDUIGINHY-UHFFFAOYSA-N
SMILES:
CCOC=C1C(=O)N(c2ccccn2)C(=O)c2c1cccc2
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.31g/mol
Monoisotopic Mass:
294.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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