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106134-81-0 | Pyrano[3,4-b]indole-1-acetonitrile, 1,8-diethyl-1,3,4,9-tetrahydro-
CAS No: 106134-81-0 Catalog No: AG008451 MDL No:
Product Description
Catalog Number:
AG008451
Chemical Name:
Pyrano[3,4-b]indole-1-acetonitrile, 1,8-diethyl-1,3,4,9-tetrahydro-
CAS Number:
106134-81-0
Molecular Formula:
C17H20N2O
Molecular Weight:
268.3535
IUPAC Name:
2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetonitrile
InChI:
InChI=1S/C17H20N2O/c1-3-12-6-5-7-13-14-8-11-20-17(4-2,9-10-18)16(14)19-15(12)13/h5-7,19H,3-4,8-9,11H2,1-2H3
InChI Key:
HVBOUUSMAVZZPQ-UHFFFAOYSA-N
SMILES:
N#CCC1(CC)OCCc2c1[nH]c1c2cccc1CC
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.158g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.36g/mol
Monoisotopic Mass:
268.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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