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128275-31-0 | 2H-Isoindole-2-hexaneperoxoic acid, 1,3-dihydro-1,3-dioxo-
CAS No: 128275-31-0 Catalog No: AG000XXV MDL No:
Product Description
Catalog Number:
AG000XXV
Chemical Name:
2H-Isoindole-2-hexaneperoxoic acid, 1,3-dihydro-1,3-dioxo-
CAS Number:
128275-31-0
Molecular Formula:
C14H15NO5
Molecular Weight:
277.2726
IUPAC Name:
6-(1,3-dioxoisoindol-2-yl)hexaneperoxoic acid
InChI:
InChI=1S/C14H15NO5/c16-12(20-19)8-2-1-5-9-15-13(17)10-6-3-4-7-11(10)14(15)18/h3-4,6-7,19H,1-2,5,8-9H2
InChI Key:
UZJGVXSQDRSSHU-UHFFFAOYSA-N
SMILES:
OOC(=O)CCCCCN1C(=O)c2c(C1=O)cccc2
EC Number:
410-850-8
UNII:
5OEJ6FAL6C
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.276g/mol
Monoisotopic Mass:
277.095g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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