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Home > Indoles and Oxindole > 15059-11-7
15059-11-7 | 1H-Isoindole-1,3(2H)-dione, 2-(1-ethoxyethyl)-
CAS No: 15059-11-7 Catalog No: AG001MR0 MDL No:
Product Description
Catalog Number:
AG001MR0
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(1-ethoxyethyl)-
CAS Number:
15059-11-7
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
IUPAC Name:
2-(1-ethoxyethyl)isoindole-1,3-dione
InChI:
InChI=1S/C12H13NO3/c1-3-16-8(2)13-11(14)9-6-4-5-7-10(9)12(13)15/h4-8H,3H2,1-2H3
InChI Key:
CHWKEPGULWDWAP-UHFFFAOYSA-N
SMILES:
CCOC(N1C(=O)c2c(C1=O)cccc2)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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