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Home > Indoles and Oxindole > 179639-14-6
179639-14-6 | 2H-Isoindole-2-pentaneperoxoic acid, 1,3-dihydro-1,3-dioxo-
CAS No: 179639-14-6 Catalog No: AG00275J MDL No:
Product Description
Catalog Number:
AG00275J
Chemical Name:
2H-Isoindole-2-pentaneperoxoic acid, 1,3-dihydro-1,3-dioxo-
CAS Number:
179639-14-6
Molecular Formula:
C13H13NO5
Molecular Weight:
263.2460
IUPAC Name:
5-(1,3-dioxoisoindol-2-yl)pentaneperoxoic acid
InChI:
InChI=1S/C13H13NO5/c15-11(19-18)7-3-4-8-14-12(16)9-5-1-2-6-10(9)13(14)17/h1-2,5-6,18H,3-4,7-8H2
InChI Key:
SVGUGZJLQICWLU-UHFFFAOYSA-N
SMILES:
OOC(=O)CCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.249g/mol
Monoisotopic Mass:
263.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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