Name: Name:7-Methyl-1H-indole-5-carboxylic acid
Brand: AABLOCKS
SKU: AA00223N
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00223N

Chemical Name: 7-Methyl-1H-indole-5-carboxylic acid

CAS Number: 180624-00-4

Molecular Formula: C10H9NO2

Molecular Weight: 175.1840

MDL Number: MFCD12924655

SMILES: OC(=O)c1cc(C)c2c(c1)cc[nH]2

Properties

Complexity: 217

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 13

Hydrogen Bond Acceptor Count: 2

Hydrogen Bond Donor Count: 2

Isotope Atom Count: 0

Rotatable Bond Count: 1

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 1.9

Downstream Synthesis Route

180624-25-3

180624-00-4

[1]Ezquerra,Jesus;Pedregal,Concepcion;Lamas,Carlos;Barluenga,Jose;Perez,Marta;Garcia-Martin,MiguelAngel;Gonzalez,JoseM.[JournalofOrganicChemistry,1996,vol.61,#17,p.5804-5812]

180624-00-4

933-67-5

[1]Ezquerra,Jesus;Pedregal,Concepcion;Lamas,Carlos;Barluenga,Jose;Perez,Marta;Garcia-Martin,MiguelAngel;Gonzalez,JoseM.[JournalofOrganicChemistry,1996,vol.61,#17,p.5804-5812]

2486-70-6

180624-00-4

[1]JournalofOrganicChemistry,1996,vol.61,p.5804-5812

18595-14-7

180624-00-4

[1]Ezquerra,Jesus;Pedregal,Concepcion;Lamas,Carlos;Barluenga,Jose;Perez,Marta;Garcia-Martin,MiguelAngel;Gonzalez,JoseM.[JournalofOrganicChemistry,1996,vol.61,#17,p.5804-5812]

180624-11-7

180624-00-4

[1]Ezquerra,Jesus;Pedregal,Concepcion;Lamas,Carlos;Barluenga,Jose;Perez,Marta;Garcia-Martin,MiguelAngel;Gonzalez,JoseM.[JournalofOrganicChemistry,1996,vol.61,#17,p.5804-5812]

180624-00-4 | 7-Methyl-1H-indole-5-carboxylic acid