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3-oxocyclobutane-1,1-dicarboxylic acid - 97%, high purity , CAS No.129314-76-7

COA

Grade & Purity:

≥97%

Cas Number: 129314-76-7
Molecular Weight: 158.11
PubChem CID: 14728566

In stock

Item Number

O628141

Grouped product items
SKU	Size	Availability	Price
O628141-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$290.90
O628141-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$726.90
O628141-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,261.90

Basic Description

Synonyms	3-oxocyclobutane-1,1-dicarboxylic acid \| 129314-76-7 \| SCHEMBL8189806 \| MFCD20652924 \| 3-oxocyclobutane-1,1-dicarboxylicacid \| PB40233 \| 3-oxo-1,1-cyclobutanedicarboxylic acid \| AS-78600 \| CS-0255112 \| D78879
Specifications & Purity	≥97%
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	Cyclic ketones Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Dicarboxylic acid or derivatives - Cyclic ketone - Ketone - 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

IUPAC Name	3-oxocyclobutane-1,1-dicarboxylic acid
INCHI	InChI=1S/C6H6O5/c7-3-1-6(2-3,4(8)9)5(10)11/h1-2H2,(H,8,9)(H,10,11)
InChIKey	QTZIWJVUUXVIKM-UHFFFAOYSA-N
Smiles	C1C(=O)CC1(C(=O)O)C(=O)O
Isomeric SMILES	C1C(=O)CC1(C(=O)O)C(=O)O
PubChem CID	14728566
Molecular Weight	158.11

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	158.110 g/mol
XLogP3	-1.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	158.022 Da
Monoisotopic Mass	158.022 Da
Topological Polar Surface Area	91.700 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	217.000
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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