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88129-34-4 | 5H-Pyrido[4,3-b]indole-3-carboxylic acid, 5-methyl-, ethyl ester
CAS No: 88129-34-4 Catalog No: AG004FHK MDL No:
Product Description
Catalog Number:
AG004FHK
Chemical Name:
5H-Pyrido[4,3-b]indole-3-carboxylic acid, 5-methyl-, ethyl ester
CAS Number:
88129-34-4
Molecular Formula:
C15H14N2O2
Molecular Weight:
254.2839
IUPAC Name:
ethyl 5-methylpyrido[4,3-b]indole-3-carboxylate
InChI:
InChI=1S/C15H14N2O2/c1-3-19-15(18)12-8-14-11(9-16-12)10-6-4-5-7-13(10)17(14)2/h4-9H,3H2,1-2H3
InChI Key:
PBDBDCOHCUZKKO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncc2c(c1)n(C)c1c2cccc1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.289g/mol
Monoisotopic Mass:
254.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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