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116524-12-0 | 9H-Pyrido[3,4-b]indole-3-carboxylic acid, 9-ethyl-, ethyl ester
CAS No: 116524-12-0 Catalog No: AG000COV MDL No:
Product Description
Catalog Number:
AG000COV
Chemical Name:
9H-Pyrido[3,4-b]indole-3-carboxylic acid, 9-ethyl-, ethyl ester
CAS Number:
116524-12-0
Molecular Formula:
C16H16N2O2
Molecular Weight:
268.3104
IUPAC Name:
ethyl 9-ethylpyrido[3,4-b]indole-3-carboxylate
InChI:
InChI=1S/C16H16N2O2/c1-3-18-14-8-6-5-7-11(14)12-9-13(16(19)20-4-2)17-10-15(12)18/h5-10H,3-4H2,1-2H3
InChI Key:
UHWDCACGLHSYHW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncc2c(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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