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1-(cyanomethyl)cyclobutane-1-carboxylic acid - 97%, high purity , CAS No.1773507-80-4

COA

Grade & Purity:

≥97%

Cas Number: 1773507-80-4
Molecular Weight: 139.15
PubChem CID: 105428009

In stock

Item Number

C637764

Grouped product items
SKU	Size	Availability	Price	Qty
C637764-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$737.90

Basic Description

Synonyms	1-(Cyanomethyl)cyclobutane-1-carboxylic acid \| 1773507-80-4 \| SCHEMBL16700278 \| MFCD30152128 \| SB22599 \| 1-(Cyanomethyl)cyclobutanecarboxylic acid \| BS-43181 \| 1-(Cyanomethyl)cyclobutane-1-carboxylicacid \| D79150
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acids
Intermediate Tree Nodes	Not available
Direct Parent	Carboxylic acids
Alternative Parents	Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
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	1-(cyanomethyl)cyclobutane-1-carboxylic acid
INCHI	InChI=1S/C7H9NO2/c8-5-4-7(6(9)10)2-1-3-7/h1-4H2,(H,9,10)
InChIKey	LZDGRSPFCNYUQU-UHFFFAOYSA-N
Smiles	C1CC(C1)(CC#N)C(=O)O
Isomeric SMILES	C1CC(C1)(CC#N)C(=O)O
PubChem CID	105428009
Molecular Weight	139.15

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	139.150 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	139.063 Da
Monoisotopic Mass	139.063 Da
Topological Polar Surface Area	61.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	197.000
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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