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Home > Indoles and Oxindole > 200880-27-9
200880-27-9 | Pyrano[3,4-b]indole-1-ethanol, 1,8-diethyl-1,3,4,9-tetrahydro-, (1R)-
CAS No: 200880-27-9 Catalog No: AG002D28 MDL No:
Product Description
Catalog Number:
AG002D28
Chemical Name:
Pyrano[3,4-b]indole-1-ethanol, 1,8-diethyl-1,3,4,9-tetrahydro-, (1R)-
CAS Number:
200880-27-9
Molecular Formula:
C17H23NO2
Molecular Weight:
273.3700
IUPAC Name:
2-[(1R)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol
InChI:
InChI=1S/C17H23NO2/c1-3-12-6-5-7-13-14-8-11-20-17(4-2,9-10-19)16(14)18-15(12)13/h5-7,18-19H,3-4,8-11H2,1-2H3/t17-/m1/s1
InChI Key:
IFMKEMYYSBDUOL-QGZVFWFLSA-N
SMILES:
OCC[C@@]1(CC)OCCc2c1[nH]c1c2cccc1CC
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
273.173g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.376g/mol
Monoisotopic Mass:
273.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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