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tert-butyl 3-hydroxycyclobutanecarboxylate - 97%, high purity , CAS No.1311166-10-5

COA

Grade & Purity:

≥97%

Cas Number: 1311166-10-5
Molecular Weight: 172.22
EC Number: 823-984-0,875-336-1
PubChem CID: 57478438

In stock

Item Number

T628206

Grouped product items
SKU	Size	Availability	Price
T628206-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$120.90
T628206-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$362.90
T628206-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$581.90

Basic Description

Synonyms	SY346115 \| Z1278923948 \| MFCD20257857 \| PS-17517 \| AM10882 \| SY286814 \| TERT-BUTYL(1R,3R)-3-HYDROXYCYCLOBUTANE-1-CARBOXYLATE \| MFCD20259658 \| J-525036 \| 1-Boc-3-Hydroxycyclobutane \| C18410 \| cis-tert-Butyl 3-hydroxycyclobutanecarboxylate \| FT-0710627 \| Z5
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	Cyclic alcohols and derivatives
Alternative Parents	Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Secondary alcohol - Cyclobutanol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group.
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	tert-butyl 3-hydroxycyclobutane-1-carboxylate
INCHI	InChI=1S/C9H16O3/c1-9(2,3)12-8(11)6-4-7(10)5-6/h6-7,10H,4-5H2,1-3H3
InChIKey	TYVLAZGEMLWPQS-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)C1CC(C1)O
Isomeric SMILES	CC(C)(C)OC(=O)C1CC(C1)O
Alternate CAS	939768-64-6,1311158-43-6
Molecular Weight	172.22
Reaxy-Rn	19741337
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19741337&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	172.220 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	172.11 Da
Monoisotopic Mass	172.11 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	175.000
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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