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820973-55-5 | 1H-Isoindole-1,3(2H)-dione, 2-[6-(4-ethenylphenyl)hexyl]-
CAS No: 820973-55-5 Catalog No: AG004WYR MDL No:
Product Description
Catalog Number:
AG004WYR
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[6-(4-ethenylphenyl)hexyl]-
CAS Number:
820973-55-5
Molecular Formula:
C22H23NO2
Molecular Weight:
333.4235
IUPAC Name:
2-[6-(4-ethenylphenyl)hexyl]isoindole-1,3-dione
InChI:
InChI=1S/C22H23NO2/c1-2-17-12-14-18(15-13-17)9-5-3-4-8-16-23-21(24)19-10-6-7-11-20(19)22(23)25/h2,6-7,10-15H,1,3-5,8-9,16H2
InChI Key:
VWEPKXRTZIVRDU-UHFFFAOYSA-N
SMILES:
C=Cc1ccc(cc1)CCCCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.173g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.431g/mol
Monoisotopic Mass:
333.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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