The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
3,3-dimethyl-2-oxo-indoline-6-carboxylic acid - 97%, high purity , CAS No.127267-57-6
Basic Description
Synonyms
3,3-dimethyl-2-oxo-2,3-dihydro-1h-indole-6-carboxylic acid | PS-19265 | SB65871 | ARPWLTXDPCHBLE-UHFFFAOYSA-N | SCHEMBL3839942 | 2,3-Dihydro-3,3-dimethyl-2-oxo-(1H)-indole-6-carboxylic acid | EN300-219951 | 3,3-dimethyl-2-oxo-1H-indole-6-carboxylic acid |
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indolecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Indolecarboxylic acids
Alternative Parents
Indolines Benzenoids Secondary carboxylic acid amides Lactams Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid - Dihydroindole - Benzenoid - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
3,3-dimethyl-2-oxo-1H-indole-6-carboxylic acid
INCHI
InChI=1S/C11H11NO3/c1-11(2)7-4-3-6(9(13)14)5-8(7)12-10(11)15/h3-5H,1-2H3,(H,12,15)(H,13,14)
InChIKey
ARPWLTXDPCHBLE-UHFFFAOYSA-N
Smiles
CC1(C2=C(C=C(C=C2)C(=O)O)NC1=O)C
Isomeric SMILES
CC1(C2=C(C=C(C=C2)C(=O)O)NC1=O)C
Alternate CAS
127267-57-6
PubChem CID
14624055
Molecular Weight
205.21
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
205.210 g/mol
XLogP3
1.200
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
205.074 Da
Monoisotopic Mass
205.074 Da
Topological Polar Surface Area
66.400 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
311.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
