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cis-3-hydroxy-3-(trifluoromethyl)cyclobutanecarboxylic acid - 97%, high purity , CAS No.1690177-86-6

COA

Grade & Purity:

≥97%

Cas Number: 1690177-86-6
Molecular Weight: 184.11
EC Number: 857-036-2,863-071-4
PubChem CID: 50990534

In stock

Item Number

C630190

Grouped product items
SKU	Size	Availability	Price
C630190-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$179.90
C630190-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$723.90
C630190-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,445.90

Basic Description

Synonyms	GS-3957 \| Cyclobutanecarboxylic acid, 3-hydroxy-3-(trifluoromethyl)- \| AKOS015920280 \| AS-78079 \| PNVQKVUOLHLJTL-UHFFFAOYSA-N \| Rel-(1r,3r)-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylic acid \| MFCD11870383 \| PB20673 \| SCHEMBL710044 \| 3-Hydroxy-3-(
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Alcohols and polyols

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Alcohols and polyols
Intermediate Tree Nodes	Not available
Direct Parent	Tertiary alcohols
Alternative Parents	Fluorohydrins Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Tertiary alcohol - Halohydrin - Fluorohydrin - Cyclobutanol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
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-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylic acid
INCHI	InChI=1S/C6H7F3O3/c7-6(8,9)5(12)1-3(2-5)4(10)11/h3,12H,1-2H2,(H,10,11)
InChIKey	PNVQKVUOLHLJTL-UHFFFAOYSA-N
Smiles	C1C(CC1(C(F)(F)F)O)C(=O)O
Isomeric SMILES	C1C(CC1(C(F)(F)F)O)C(=O)O
Alternate CAS	1163729-49-4,1690177-86-6
Molecular Weight	184.11
Reaxy-Rn	36033917
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36033917&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	184.110 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	184.035 Da
Monoisotopic Mass	184.035 Da
Topological Polar Surface Area	57.500 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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