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Methacetin (methoxy-C) - ≥98 atom% 13C,≥98%, high purity , CAS No.72156-70-8

COA

Grade & Purity:

≥98 atom% 13C,≥98%

Cas Number: 72156-70-8
Molecular Weight: 166.18
MDL number: MFCD00084017
PubChem CID: 9793926

In stock

Item Number

M770075

Grouped product items
SKU	Size	Availability	Price	Qty
M770075-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$996.90

Basic Description

Specifications & Purity	≥98 atom% 13C,≥98%
Storage Temp	Protected from light,Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Not available
Direct Parent	Acetanilides
Alternative Parents	N-acetylarylamines Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Acetamides Secondary carboxylic acid amides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Acetanilide - N-acetylarylamine - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group.
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	N-(4-(113C)methoxyphenyl)acetamide
INCHI	InChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)/i2+1
InChIKey	XVAIDCNLVLTVFM-VQEHIDDOSA-N
Smiles	CC(=O)NC1=CC=C(C=C1)OC
Isomeric SMILES	CC(=O)NC1=CC=C(C=C1)O[13CH3]
WGK Germany	3
PubChem CID	9793926
Molecular Weight	166.18

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	166.180 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	166.082 Da
Monoisotopic Mass	166.082 Da
Topological Polar Surface Area	38.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	151.000
Isotope Atom Count	1
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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