CAS 1011-65-0 | 1H-Indole-5-carboxylic acid, methyl ester | CAS Number 1011-65-0

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1011-65-0 | 1H-Indole-5-carboxylic acid, methyl ester

CAS No: 1011-65-0 Catalog No: AG0003RH MDL No:MFCD00153023

Product Description

Catalog Number:

AG0003RH

Chemical Name:

1H-Indole-5-carboxylic acid, methyl ester

CAS Number:

1011-65-0

Molecular Formula:

C10H9NO2

Molecular Weight:

175.1840

MDL Number:

MFCD00153023

IUPAC Name:

methyl 1H-indole-5-carboxylate

InChI:

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

InChI Key:

DRYBMFJLYYEOBZ-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc2c(c1)cc[nH]2

Properties

Complexity:

205

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:

42.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Generation of new protein kinase inhibitors utilizing cytochrome p450 mutant enzymes for indigoid synthesis.	Journal of medicinal chemistry 20040603