9H-Pyrido[3,4-b]indole-3-carboxylic acid, butyl ester


Chemical Name: 9H-Pyrido[3,4-b]indole-3-carboxylic acid, butyl ester
CAS Number: 84454-35-3
Product Number: AG004SFQ(AGN-PC-0JMLER)
Synonyms:
MDL No: MFCD00078568
Molecular Formula: C9H18O6
Molecular Weight: 222.2356

Identification/Properties


Computed Properties
Molecular Weight:
268.316g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
268.121g/mol
Monoisotopic Mass:
268.121g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
347
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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