Name: Name:5-Hydroxy-1H-indole-3-carboxylic acid
Brand: Angene
SKU: AG0038SI
Rating: 90 (10 reviews)

5-Hydroxy-1H-indole-3-carboxylic acid

CAS No.:

3705-21-3

Catalog Number:

AG0038SI

Molecular Formula:

C9H7NO3

Molecular Weight:

177.1568

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Product Description

Catalog Number:

AG0038SI

Chemical Name:

5-Hydroxy-1H-indole-3-carboxylic acid

CAS Number:

3705-21-3

Molecular Formula:

C9H7NO3

Molecular Weight:

177.1568

MDL Number:

MFCD07776722

IUPAC Name:

5-hydroxy-1H-indole-3-carboxylic acid

InChI:

InChI=1S/C9H7NO3/c11-5-1-2-8-6(3-5)7(4-10-8)9(12)13/h1-4,10-11H,(H,12,13)

InChI Key:

RVWZUOPFHTYIEO-UHFFFAOYSA-N

SMILES:

Oc1ccc2c(c1)c(c[nH]2)C(=O)O

Properties

Complexity:

219

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

177.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

177.159g/mol

Monoisotopic Mass:

177.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
[Neuroendocrine tumors of the duodenum and pancreas. Surgical strategy].	Der Chirurg; Zeitschrift fur alle Gebiete der operativen Medizen 20110701
CoMFA and CoMSIA studies on 5-hydroxyindole-3-carboxylate derivatives as 5-lipoxygenase inhibitors: generation of homology model and docking studies.	Bioorganic & medicinal chemistry letters 20110101
Description of patients with midgut carcinoid tumours: clinical database from a Danish centre.	In vivo (Athens, Greece) 20070101
Automated on-line solid-phase extraction coupled with HPLC for measurement of 5-hydroxyindole-3-acetic acid in urine.	Clinical chemistry 20050901

Properties