Name: Name:2-(2-methyl-1H-indol-3-yl)-2-oxoacetic acid
Brand: Angene
SKU: AG019PG8
Rating: 90 (10 reviews)

2-(2-methyl-1H-indol-3-yl)-2-oxoacetic acid

CAS No.:

62454-47-1

Catalog Number:

AG019PG8

Molecular Formula:

C11H9NO3

Molecular Weight:

203.1941

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Product Description

Catalog Number:

AG019PG8

Chemical Name:

2-(2-methyl-1H-indol-3-yl)-2-oxoacetic acid

CAS Number:

62454-47-1

Molecular Formula:

C11H9NO3

Molecular Weight:

203.1941

MDL Number:

MFCD10686657

IUPAC Name:

2-(2-methyl-1H-indol-3-yl)-2-oxoacetic acid

InChI:

InChI=1S/C11H9NO3/c1-6-9(10(13)11(14)15)7-4-2-3-5-8(7)12-6/h2-5,12H,1H3,(H,14,15)

InChI Key:

IYLDJJZSHNIIOQ-UHFFFAOYSA-N

SMILES:

OC(=O)C(=O)c1c(C)[nH]c2c1cccc2

Properties

Complexity:

290

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

203.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

203.197g/mol

Monoisotopic Mass:

203.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
Synthetic analogs of indole-containing natural products as inhibitors of sortase A and isocitrate lyase.	Bioorganic & medicinal chemistry letters 20101201