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189182-83-0 | 9H-Pyrido[2,3-b]indole-3-carboxylic acid, 9-ethyl-, ethyl ester
CAS No: 189182-83-0 Catalog No: AG002HZY MDL No:
Product Description
Catalog Number:
AG002HZY
Chemical Name:
9H-Pyrido[2,3-b]indole-3-carboxylic acid, 9-ethyl-, ethyl ester
CAS Number:
189182-83-0
Molecular Formula:
C16H16N2O2
Molecular Weight:
268.3104
IUPAC Name:
ethyl 9-ethylpyrido[2,3-b]indole-3-carboxylate
InChI:
InChI=1S/C16H16N2O2/c1-3-18-14-8-6-5-7-12(14)13-9-11(10-17-15(13)18)16(19)20-4-2/h5-10H,3-4H2,1-2H3
InChI Key:
WLJPDGAXGDESRY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1)c1ccccc1n2CC
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.316g/mol
Monoisotopic Mass:
268.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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