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69954-48-9

69954-48-9 structural image
Product Name: B-CARBOLINE-3-CARBOXYLIC ACID METHYLESTE R
Formula: C13H10N2O2
Synonyms: β-CCM;9H-Pyrido[3,4-b]indole-3-carboxylic acid methyl ester
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COMPUTED DESCRIPTORS

Molecular Weight 226.23 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 226.074227566 g/mol
Monoisotopic Mass 226.074227566 g/mol
Topological Polar Surface Area 55 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 308
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

PRODUCT INTRODUCTION

description

9H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester is a member of beta-carbolines.