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Home > Indoles and Oxindole > 119270-50-7
119270-50-7 | 1H-Isoindole-1,3(2H)-dione, 2-[2-(2-naphthalenyl)-2-oxoethyl]-
CAS No: 119270-50-7 Catalog No: AG000II5 MDL No:
Product Description
Catalog Number:
AG000II5
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-(2-naphthalenyl)-2-oxoethyl]-
CAS Number:
119270-50-7
Molecular Formula:
C20H13NO3
Molecular Weight:
315.3221
IUPAC Name:
2-(2-naphthalen-2-yl-2-oxoethyl)isoindole-1,3-dione
InChI:
InChI=1S/C20H13NO3/c22-18(15-10-9-13-5-1-2-6-14(13)11-15)12-21-19(23)16-7-3-4-8-17(16)20(21)24/h1-11H,12H2
InChI Key:
JCYPOUXYKJCURI-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)cccc2)CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.09g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.328g/mol
Monoisotopic Mass:
315.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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