CAS 16136-58-6 | 1H-Indole-2-carboxylic acid, 1-methyl- | CAS Number 16136-58-6

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16136-58-6 | 1H-Indole-2-carboxylic acid, 1-methyl-

CAS No: 16136-58-6 Catalog No: AG001SEU MDL No:MFCD00005801

Product Description

Catalog Number:

AG001SEU

Chemical Name:

1H-Indole-2-carboxylic acid, 1-methyl-

CAS Number:

16136-58-6

Molecular Formula:

C10H9NO2

Molecular Weight:

175.1840

MDL Number:

MFCD00005801

IUPAC Name:

1-methylindole-2-carboxylic acid

InChI:

InChI=1S/C10H9NO2/c1-11-8-5-3-2-4-7(8)6-9(11)10(12)13/h2-6H,1H3,(H,12,13)

InChI Key:

MAHAMBLNIDMREX-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc2c(n1C)cccc2

NSC Number:

68357

Properties

Complexity:

217

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

175.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

175.187g/mol

Monoisotopic Mass:

175.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening.	Journal of medicinal chemistry 20040506