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Home > Indoles and Oxindole > 114041-17-7
114041-17-7 | 1H-Isoindole, 2,3-dihydro-5,6-dimethoxy-, hydrochloride (9CI)
CAS No: 114041-17-7 Catalog No: AG000AD7 MDL No:MFCD11223564
Product Description
Catalog Number:
AG000AD7
Chemical Name:
1H-Isoindole, 2,3-dihydro-5,6-dimethoxy-, hydrochloride (9CI)
CAS Number:
114041-17-7
Molecular Formula:
C10H14ClNO2
Molecular Weight:
215.6767
MDL Number:
MFCD11223564
IUPAC Name:
5,6-dimethoxy-2,3-dihydro-1H-isoindole;hydrochloride
InChI:
InChI=1S/C10H13NO2.ClH/c1-12-9-3-7-5-11-6-8(7)4-10(9)13-2;/h3-4,11H,5-6H2,1-2H3;1H
InChI Key:
YDORVHRERXVLHY-UHFFFAOYSA-N
SMILES:
COc1cc2CNCc2cc1OC.Cl
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.677g/mol
Monoisotopic Mass:
215.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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