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130872-52-5 | Benzoic acid, 4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, ethyl ester
CAS No: 130872-52-5 Catalog No: AG000V1M MDL No:
Product Description
Catalog Number:
AG000V1M
Chemical Name:
Benzoic acid, 4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, ethyl ester
CAS Number:
130872-52-5
Molecular Formula:
C17H13NO4
Molecular Weight:
295.2894
IUPAC Name:
ethyl 4-(1,3-dioxoisoindol-2-yl)benzoate
InChI:
InChI=1S/C17H13NO4/c1-2-22-17(21)11-7-9-12(10-8-11)18-15(19)13-5-3-4-6-14(13)16(18)20/h3-10H,2H2,1H3
InChI Key:
VZXXZZACBBUGDT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.084g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.294g/mol
Monoisotopic Mass:
295.084g/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
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