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1-(Ethoxycarbonyl)cyclobutanecarboxylic acid - 97%, high purity , CAS No.54450-84-9

COA

Grade & Purity:

≥97%

Cas Number: 54450-84-9
Molecular Weight: 172.18
EC Number: 686-947-6
PubChem CID: 10559105
PubChem SID: 504765529

In stock

Item Number

E589432

Grouped product items
SKU	Size	Availability	Price
E589432-1g	1g	3	$45.90
E589432-5g	5g	2	$157.90
E589432-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$707.90

Basic Description

Synonyms	Monoethyl 1,1-cyclobutanedicarboxylate \| AB91271 \| Cyclobutane-1,1-dicarboxylic acid ethyl ester \| F31333 \| DTXSID40441670 \| 1-Ethoxycarbonyl cyclobutane-1-carboxylic acid, 95% \| 1-(Ethoxycarbonyl)cyclobutanecarboxylicacid \| STL554664 \| SY041574 \| 1-ethox
Specifications & Purity	≥97%
Storage Temp	Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Dicarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Dicarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Dicarboxylic acids and derivatives
Alternative Parents	Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
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	504765529
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504765529
IUPAC Name	1-ethoxycarbonylcyclobutane-1-carboxylic acid
INCHI	InChI=1S/C8H12O4/c1-2-12-7(11)8(6(9)10)4-3-5-8/h2-5H2,1H3,(H,9,10)
InChIKey	XYHZRSFKDSWLHW-UHFFFAOYSA-N
Smiles	CCOC(=O)C1(CCC1)C(=O)O
Isomeric SMILES	CCOC(=O)C1(CCC1)C(=O)O
WGK Germany	3
Alternate CAS	54450-84-9
Molecular Weight	172.18
Reaxy-Rn	2253496
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2253496&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
I2320629	Certificate of Analysis	Aug 23, 2023	E589432
I2320630	Certificate of Analysis	Aug 23, 2023	E589432
I2320628	Certificate of Analysis	Aug 23, 2023	E589432

Chemical and Physical Properties

Flash Point(°F)	>230 °F
Flash Point(°C)	>110 °C
Molecular Weight	172.180 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	172.074 Da
Monoisotopic Mass	172.074 Da
Topological Polar Surface Area	63.600 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	205.000
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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