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Home > Indoles and Oxindole > 90686-26-3
90686-26-3 | 9H-Pyrido[3,4-b]indole, 1-ethyl-, 2-oxide
CAS No: 90686-26-3 Catalog No: AG006NAN MDL No:
Product Description
Catalog Number:
AG006NAN
Chemical Name:
9H-Pyrido[3,4-b]indole, 1-ethyl-, 2-oxide
CAS Number:
90686-26-3
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
IUPAC Name:
1-ethyl-2-hydroxypyrido[3,4-b]indole
InChI:
InChI=1S/C13H12N2O/c1-2-12-13-10(7-8-15(12)16)9-5-3-4-6-11(9)14-13/h3-8,16H,2H2,1H3
InChI Key:
UQOFRMRIJVPAKI-UHFFFAOYSA-N
SMILES:
CCc1[n+]([O-])ccc2c1[nH]c1c2cccc1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.252g/mol
Monoisotopic Mass:
212.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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