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Home > Indoles and Oxindole > 114041-16-6
114041-16-6 | 1H-Isoindole, 2,3-dihydro-5,6-dimethoxy-
CAS No: 114041-16-6 Catalog No: AG000AD8 MDL No:MFCD08234863
Product Description
Catalog Number:
AG000AD8
Chemical Name:
1H-Isoindole, 2,3-dihydro-5,6-dimethoxy-
CAS Number:
114041-16-6
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD08234863
IUPAC Name:
5,6-dimethoxy-2,3-dihydro-1H-isoindole
InChI:
InChI=1S/C10H13NO2/c1-12-9-3-7-5-11-6-8(7)4-10(9)13-2/h3-4,11H,5-6H2,1-2H3
InChI Key:
WMIINIMCTOCKNL-UHFFFAOYSA-N
SMILES:
COc1cc2CNCc2cc1OC
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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