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Home > Indoles and Oxindole > 89068-32-6
89068-32-6 | 1H-Isoindole-1,3(2H)-dione, hexahydro-3a,7a-dimethyl-2-(2-propenyl)-
CAS No: 89068-32-6 Catalog No: AG00410J MDL No:
Product Description
Catalog Number:
AG00410J
Chemical Name:
1H-Isoindole-1,3(2H)-dione, hexahydro-3a,7a-dimethyl-2-(2-propenyl)-
CAS Number:
89068-32-6
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
IUPAC Name:
3a,7a-dimethyl-2-prop-2-enyl-4,5,6,7-tetrahydroisoindole-1,3-dione
InChI:
InChI=1S/C13H19NO2/c1-4-9-14-10(15)12(2)7-5-6-8-13(12,3)11(14)16/h4H,1,5-9H2,2-3H3
InChI Key:
ITOKPHVSTDZSON-UHFFFAOYSA-N
SMILES:
C=CCN1C(=O)C2(C(C1=O)(C)CCCC2)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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