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82596-95-0 | 9H-Pyrido[3,4-b]indole-3-carboxylic acid, 9-methyl-, methyl ester
CAS No: 82596-95-0 Catalog No: AG005CQG MDL No:
Product Description
Catalog Number:
AG005CQG
Chemical Name:
9H-Pyrido[3,4-b]indole-3-carboxylic acid, 9-methyl-, methyl ester
CAS Number:
82596-95-0
Molecular Formula:
C14H12N2O2
Molecular Weight:
240.2573
IUPAC Name:
methyl 9-methylpyrido[3,4-b]indole-3-carboxylate
InChI:
InChI=1S/C14H12N2O2/c1-16-12-6-4-3-5-9(12)10-7-11(14(17)18-2)15-8-13(10)16/h3-8H,1-2H3
InChI Key:
QJVBEJRCLQGKAR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc2c(c1)c1ccccc1n2C
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.262g/mol
Monoisotopic Mass:
240.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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