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Home > Indoles and Oxindole > 114041-14-4
114041-14-4 | 1H-Isoindole, 2,3-dihydro-5,6-dimethoxy-2-(phenylmethyl)-
CAS No: 114041-14-4 Catalog No: AG000AD9 MDL No:
Product Description
Catalog Number:
AG000AD9
Chemical Name:
1H-Isoindole, 2,3-dihydro-5,6-dimethoxy-2-(phenylmethyl)-
CAS Number:
114041-14-4
Molecular Formula:
C17H19NO2
Molecular Weight:
269.3383
IUPAC Name:
2-benzyl-5,6-dimethoxy-1,3-dihydroisoindole
InChI:
InChI=1S/C17H19NO2/c1-19-16-8-14-11-18(10-13-6-4-3-5-7-13)12-15(14)9-17(16)20-2/h3-9H,10-12H2,1-2H3
InChI Key:
JCVIFYPKIZMTNQ-UHFFFAOYSA-N
SMILES:
COc1cc2CN(Cc2cc1OC)Cc1ccccc1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.344g/mol
Monoisotopic Mass:
269.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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