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Home > Indoles and Oxindole > 89047-77-8
89047-77-8 | 1H-Benz[e]isoindole, 2,3,3a,4,5,9b-hexahydro-6,7-dimethoxy-
CAS No: 89047-77-8 Catalog No: AG00431U MDL No:
Product Description
Catalog Number:
AG00431U
Chemical Name:
1H-Benz[e]isoindole, 2,3,3a,4,5,9b-hexahydro-6,7-dimethoxy-
CAS Number:
89047-77-8
Molecular Formula:
C14H19NO2
Molecular Weight:
233.3062
IUPAC Name:
6,7-dimethoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindole
InChI:
InChI=1S/C14H19NO2/c1-16-13-6-5-10-11(14(13)17-2)4-3-9-7-15-8-12(9)10/h5-6,9,12,15H,3-4,7-8H2,1-2H3
InChI Key:
IBYLAJMWVLGNMD-UHFFFAOYSA-N
SMILES:
COc1c(OC)ccc2c1CCC1C2CNC1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.311g/mol
Monoisotopic Mass:
233.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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