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Home > Indoles and Oxindole > 105702-19-0
105702-19-0 | 2H-Indole, 3-(1,3-benzodioxol-5-yl)-3,3a,4,5,6,7-hexahydro-, cis-
CAS No: 105702-19-0 Catalog No: AG007FK0 MDL No:
Product Description
Catalog Number:
AG007FK0
Chemical Name:
2H-Indole, 3-(1,3-benzodioxol-5-yl)-3,3a,4,5,6,7-hexahydro-, cis-
CAS Number:
105702-19-0
Molecular Formula:
C15H17NO2
Molecular Weight:
243.3010
IUPAC Name:
3-(1,3-benzodioxol-5-yl)-3,3a,4,5,6,7-hexahydro-2H-indole
InChI:
InChI=1S/C15H17NO2/c1-2-4-13-11(3-1)12(8-16-13)10-5-6-14-15(7-10)18-9-17-14/h5-7,11-12H,1-4,8-9H2
InChI Key:
JVQDAAXFZVDUEA-UHFFFAOYSA-N
SMILES:
C1CCC2=NC[C@H]([C@@H]2C1)c1ccc2c(c1)OCO2
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.306g/mol
Monoisotopic Mass:
243.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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