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Methyl 2-(3-formylphenyl)acetate - ≥95%, high purity , CAS No.142327-44-4

COA

Grade & Purity:

≥95%

Cas Number: 142327-44-4
Molecular Weight: 178.18
PubChem CID: 11819590

In stock

Item Number

M726334

Grouped product items
SKU	Size	Availability	Price
M726334-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$282.90
M726334-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$495.90
M726334-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,288.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoyl derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoyl derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoyl derivatives
Alternative Parents	Benzaldehydes Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoyl - Benzaldehyde - Aryl-aldehyde - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
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 2-(3-formylphenyl)acetate
INCHI	InChI=1S/C10H10O3/c1-13-10(12)6-8-3-2-4-9(5-8)7-11/h2-5,7H,6H2,1H3
InChIKey	FFUBFLSGFOHPKF-UHFFFAOYSA-N
Smiles	COC(=O)CC1=CC(=CC=C1)C=O
Isomeric SMILES	COC(=O)CC1=CC(=CC=C1)C=O
PubChem CID	11819590
Molecular Weight	178.18

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	178.180 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	178.063 Da
Monoisotopic Mass	178.063 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	189.000
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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