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Home Other Building Blocks ethyl 4-(1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)benzoate

ethyl 4-(1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)benzoate

CAS No.:
130872-48-9
Catalog Number:
AG019HSW
Molecular Formula:
C18H15NO4
Molecular Weight:
309.3160
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Product Description
Catalog Number:
AG019HSW
Chemical Name:
ethyl 4-(1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)benzoate
CAS Number:
130872-48-9
Molecular Formula:
C18H15NO4
Molecular Weight:
309.3160
MDL Number:
MFCD03964592
IUPAC Name:
ethyl 4-(1,3-dioxo-4H-isoquinolin-2-yl)benzoate
InChI:
InChI=1S/C18H15NO4/c1-2-23-18(22)12-7-9-14(10-8-12)19-16(20)11-13-5-3-4-6-15(13)17(19)21/h3-10H,2,11H2,1H3
InChI Key:
WODLXPUSDXNVEF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)N1C(=O)Cc2c(C1=O)cccc2
NSC Number:
627267
Properties
Complexity:
481  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.1g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.321g/mol
Monoisotopic Mass:
309.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties