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Home > Indoles and Oxindole > 89047-68-7
89047-68-7 | 1H-Benz[e]isoindole, 2,3,3a,4,5,9b-hexahydro-6,7-dimethoxy-2-propyl-
CAS No: 89047-68-7 Catalog No: AG00431W MDL No:
Product Description
Catalog Number:
AG00431W
Chemical Name:
1H-Benz[e]isoindole, 2,3,3a,4,5,9b-hexahydro-6,7-dimethoxy-2-propyl-
CAS Number:
89047-68-7
Molecular Formula:
C17H25NO2
Molecular Weight:
275.3859
IUPAC Name:
6,7-dimethoxy-2-propyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole
InChI:
InChI=1S/C17H25NO2/c1-4-9-18-10-12-5-6-14-13(15(12)11-18)7-8-16(19-2)17(14)20-3/h7-8,12,15H,4-6,9-11H2,1-3H3
InChI Key:
CTNKKDZVVVLMCB-UHFFFAOYSA-N
SMILES:
CCCN1CC2C(C1)c1ccc(c(c1CC2)OC)OC
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.189g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.392g/mol
Monoisotopic Mass:
275.189g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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