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Home > Indoles and Oxindole > 110781-63-0
110781-63-0 | sodium 1-(2-ethoxy-2-oxoethyl)-8-ethyl-3,4-dihydro-1h-pyrano[3,4-b]indol-9-ide
CAS No: 110781-63-0 Catalog No: AG007U62 MDL No:
Product Description
Catalog Number:
AG007U62
Chemical Name:
sodium 1-(2-ethoxy-2-oxoethyl)-8-ethyl-3,4-dihydro-1h-pyrano[3,4-b]indol-9-ide
CAS Number:
110781-63-0
Molecular Formula:
C17H20NNaO3
Molecular Weight:
309.3354
IUPAC Name:
sodium;ethyl 2-(8-ethyl-3,4-dihydro-1H-pyrano[3,4-b]indol-9-id-1-yl)acetate
InChI:
InChI=1S/C17H20NO3.Na/c1-3-11-6-5-7-12-13-8-9-21-14(10-15(19)20-4-2)17(13)18-16(11)12;/h5-7,14H,3-4,8-10H2,1-2H3;/q-1;+1
InChI Key:
HNSIEYQCTXMNIS-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC1OCCc2c1[n-]c1c2cccc1CC.[Na+]
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.134g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.341g/mol
Monoisotopic Mass:
309.134g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
36.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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