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methyl 4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate - 97%, high purity , CAS No.69948-64-7

COA

Grade & Purity:

≥97%

Cas Number: 69948-64-7
Molecular Weight: 193.2
PubChem CID: 12464253

In stock

Item Number

M634395

Grouped product items
SKU	Size	Availability	Price
M634395-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$299.90
M634395-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,213.90
M634395-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,425.90

Basic Description

Synonyms	69948-64-7 \| methyl 4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate \| methyl 4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate \| MFCD21337271 \| SCHEMBL1005769 \| AS-78640 \| SY257784 \| CS-0142873 \| P19831 \| methyl4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Indoles and derivatives
Alternative Parents	Pyrrole carboxylic acids and derivatives Aryl alkyl ketones Substituted pyrroles Vinylogous amides Methyl esters Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indole or derivatives - Pyrrole-2-carboxylic acid or derivatives - Aryl ketone - Aryl alkyl ketone - Substituted pyrrole - Pyrrole - Methyl ester - Heteroaromatic compound - Vinylogous amide - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	methyl 4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
INCHI	InChI=1S/C10H11NO3/c1-14-10(13)8-5-6-7(11-8)3-2-4-9(6)12/h5,11H,2-4H2,1H3
InChIKey	BZSSQPOUVNSCGF-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC2=C(N1)CCCC2=O
Isomeric SMILES	COC(=O)C1=CC2=C(N1)CCCC2=O
PubChem CID	12464253
Molecular Weight	193.2

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	193.200 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	193.074 Da
Monoisotopic Mass	193.074 Da
Topological Polar Surface Area	59.200 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	264.000
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

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