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Home > Indoles and Oxindole > 127168-88-1
127168-88-1 | 1H-Isoindole, 2,3-dihydro-5-methoxy-
CAS No: 127168-88-1 Catalog No: AG000WQ9 MDL No:MFCD06804552
Product Description
Catalog Number:
AG000WQ9
Chemical Name:
1H-Isoindole, 2,3-dihydro-5-methoxy-
CAS Number:
127168-88-1
Molecular Formula:
C9H11NO
Molecular Weight:
149.1897
MDL Number:
MFCD06804552
IUPAC Name:
5-methoxy-2,3-dihydro-1H-isoindole
InChI:
InChI=1S/C9H11NO/c1-11-9-3-2-7-5-10-6-8(7)4-9/h2-4,10H,5-6H2,1H3
InChI Key:
BNBIUUBEQGUPJK-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CNC2
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.193g/mol
Monoisotopic Mass:
149.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Formation of 4,5,6,7-tetrahydroisoindoles by palladium-catalyzed hydride reduction. | The Journal of organic chemistry 20071123 |
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