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229494-02-4 | 1H-Isoindole-1,3(2H)-dione, 2-(5,6-heptadien-1-yl)-
CAS No: 229494-02-4 Catalog No: AG002LN9 MDL No:
Product Description
Catalog Number:
AG002LN9
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(5,6-heptadien-1-yl)-
CAS Number:
229494-02-4
Molecular Formula:
C15H15NO2
Molecular Weight:
241.2851
IUPAC Name:
2-hepta-5,6-dienylisoindole-1,3-dione
InChI:
InChI=1S/C15H15NO2/c1-2-3-4-5-8-11-16-14(17)12-9-6-7-10-13(12)15(16)18/h3,6-7,9-10H,1,4-5,8,11H2
InChI Key:
CGXPJGWCNJMEJA-UHFFFAOYSA-N
SMILES:
C=C=CCCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
358
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.29g/mol
Monoisotopic Mass:
241.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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