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Home > Indoles and Oxindole > 82181-90-6
82181-90-6 | 1H-Isoindole-1,3(2H)-dione, 2-nonyl-
CAS No: 82181-90-6 Catalog No: AG0056NA MDL No:
Product Description
Catalog Number:
AG0056NA
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-nonyl-
CAS Number:
82181-90-6
Molecular Formula:
C17H23NO2
Molecular Weight:
273.3700
IUPAC Name:
2-nonylisoindole-1,3-dione
InChI:
InChI=1S/C17H23NO2/c1-2-3-4-5-6-7-10-13-18-16(19)14-11-8-9-12-15(14)17(18)20/h8-9,11-12H,2-7,10,13H2,1H3
InChI Key:
PAHBXRHZXQZIBT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.173g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.376g/mol
Monoisotopic Mass:
273.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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