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4-Methoxyindole-3-carboxaldehyde , CAS No.90734-97-7

COA

Grade & Purity:

≥97%

Cas Number: 90734-97-7
Molecular Weight: 175.18
PubChem CID: 146229
PubChem SID: 488188201

In stock

Item Number

M355243

Grouped product items
SKU	Size	Availability	Price
M355243-50mg	50mg	5	$9.90
M355243-250mg	250mg	5	$40.90
M355243-1g	1g	5	$136.90
M355243-5g	5g	2	$412.90

Basic Description

Synonyms	CL3466 \| FT-0651349 \| 4-Methoxyindole-3-carboxaldehyde \| SCHEMBL1337138 \| DTXSID50238250 \| 3-Formyl-4-methoxy-1H-indole \| AS-45961 \| GDVCEQRAPMIJBG-UHFFFAOYSA-N \| 4-Methoxyindole-3-aldehyde \| CHEBI:181462 \| STK360767 \| 4-methoxy-1H-indole-3-carbaldehyde \|
Specifications & Purity	≥97%
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	4-Methoxyindole-3-carboxaldehyde is an intermediate in organic syntheses.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indoles
Intermediate Tree Nodes	Not available
Direct Parent	Indoles
Alternative Parents	Anisoles Aryl-aldehydes Alkyl aryl ethers Substituted pyrroles Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indole - Anisole - Alkyl aryl ether - Aryl-aldehyde - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Azacycle - Ether - Hydrocarbon derivative - Aldehyde - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
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

Pubchem Sid	488188201
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488188201
IUPAC Name	4-methoxy-1H-indole-3-carbaldehyde
INCHI	InChI=1S/C10H9NO2/c1-13-9-4-2-3-8-10(9)7(6-12)5-11-8/h2-6,11H,1H3
InChIKey	GDVCEQRAPMIJBG-UHFFFAOYSA-N
Smiles	COC1=CC=CC2=C1C(=CN2)C=O
Isomeric SMILES	COC1=CC=CC2=C1C(=CN2)C=O
Molecular Weight	175.18
Reaxy-Rn	3542369
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3542369&ln=

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

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

Analytical Chart:

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9 results found

Lot Number	Certificate Type	Date	Item
D2301682	Certificate of Analysis	Feb 01, 2023	M355243
D2301694	Certificate of Analysis	Feb 01, 2023	M355243
D2301684	Certificate of Analysis	Feb 01, 2023	M355243
D2301697	Certificate of Analysis	Feb 01, 2023	M355243
D2301693	Certificate of Analysis	Feb 01, 2023	M355243
C2508116	Certificate of Analysis	Feb 01, 2023	M355243
D2301692	Certificate of Analysis	Feb 01, 2023	M355243
D2301690	Certificate of Analysis	Feb 01, 2023	M355243
D2301689	Certificate of Analysis	Feb 01, 2023	M355243

Chemical and Physical Properties

Boil Point(°C)	~375.24° C at 760 mmHg (Predicted)
Melt Point(°C)	104.83° C (Predicted)
Molecular Weight	175.180 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	175.063 Da
Monoisotopic Mass	175.063 Da
Topological Polar Surface Area	42.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	195.000
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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