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Home > Indoles and Oxindole > 20320-48-3
20320-48-3 | 1H-Isoindole-1,3(2H)-dione, 2-hexyl-
CAS No: 20320-48-3 Catalog No: AG0028QM MDL No:
Product Description
Catalog Number:
AG0028QM
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-hexyl-
CAS Number:
20320-48-3
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
IUPAC Name:
4-hexylisoindole-1,3-dione
InChI:
InChI=1S/C14H17NO2/c1-2-3-4-5-7-10-8-6-9-11-12(10)14(17)15-13(11)16/h6,8-9H,2-5,7H2,1H3,(H,15,16,17)
InChI Key:
NHNFPXZIQXUTOH-UHFFFAOYSA-N
SMILES:
CCCCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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