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Home > Indoles and Oxindole > 17687-64-8
17687-64-8 | 1H-Isoindole-1,3(2H)-dione, 2-(3-methyl-2-oxobutyl)-
CAS No: 17687-64-8 Catalog No: AG0024YG MDL No:
Product Description
Catalog Number:
AG0024YG
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(3-methyl-2-oxobutyl)-
CAS Number:
17687-64-8
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
IUPAC Name:
2-(3-methyl-2-oxobutyl)isoindole-1,3-dione
InChI:
InChI=1S/C13H13NO3/c1-8(2)11(15)7-14-12(16)9-5-3-4-6-10(9)13(14)17/h3-6,8H,7H2,1-2H3
InChI Key:
CKJAVTRPTYRMQT-UHFFFAOYSA-N
SMILES:
CC(C(=O)CN1C(=O)c2c(C1=O)cccc2)C
NSC Number:
126838
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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