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3-phenylcyclobutane-1-carboxylic acid - 97%, high purity , CAS No.66016-28-2

COA

Grade & Purity:

≥97%

Cas Number: 66016-28-2
Molecular Weight: 176.2118
PubChem CID: 47806
PubChem SID: 504753647

In stock

Item Number

P177089

Grouped product items
SKU	Size	Availability	Price
P177089-100mg	100mg	3	$27.90
P177089-250mg	250mg	2	$56.90
P177089-1g	1g	2	$188.90
P177089-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$848.90

Basic Description

Synonyms	66016-28-2 \| 3-Phenylcyclobutanecarboxylic acid \| 3-phenylcyclobutane-1-carboxylic acid \| 16204-48-1 \| 3-Phenyl-cyclobutanecarboxylic acid \| trans-3-phenylcyclobutanecarboxylic acid \| cis-3-phenylcyclobutanecarboxylic acid \| CYCLOBUTANECARBOXYLIC ACID, 3-PHENYL- \| 1570-9
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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	504753647
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504753647
IUPAC Name	3-phenylcyclobutane-1-carboxylic acid
INCHI	InChI=1S/C11H12O2/c12-11(13)10-6-9(7-10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)
InChIKey	KOSJHQBPJQYNTB-UHFFFAOYSA-N
Smiles	C1C(CC1C(=O)O)C2=CC=CC=C2
Isomeric SMILES	C1C(CC1C(=O)O)C2=CC=CC=C2
PubChem CID	47806
Molecular Weight	176.2118

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.

6 results found

Lot Number	Certificate Type	Date	Item
L2313179	Certificate of Analysis	Oct 24, 2023	P177089
L2313180	Certificate of Analysis	Oct 24, 2023	P177089
L2313181	Certificate of Analysis	Oct 24, 2023	P177089
L2313182	Certificate of Analysis	Oct 24, 2023	P177089
L2313183	Certificate of Analysis	Oct 24, 2023	P177089
L2313184	Certificate of Analysis	Oct 24, 2023	P177089

Chemical and Physical Properties

Molecular Weight	176.210 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	176.084 Da
Monoisotopic Mass	176.084 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	188.000
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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