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Home > Indoles and Oxindole > 2028-33-3
2028-33-3 | 1H-Isoindole-1,3(2H)-dione, 2-(1-methyl-2-oxopropyl)-
CAS No: 2028-33-3 Catalog No: AG0028G0 MDL No:
Product Description
Catalog Number:
AG0028G0
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(1-methyl-2-oxopropyl)-
CAS Number:
2028-33-3
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
2-(3-oxobutan-2-yl)isoindole-1,3-dione
InChI:
InChI=1S/C12H11NO3/c1-7(8(2)14)13-11(15)9-5-3-4-6-10(9)12(13)16/h3-7H,1-2H3
InChI Key:
NKPDEEQLUDNJPD-UHFFFAOYSA-N
SMILES:
CC(N1C(=O)c2c(C1=O)cccc2)C(=O)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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