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benzyl trans-3-(hydroxymethyl)cyclobutanecarboxylate - 97%, high purity , CAS No.1602652-31-2

COA

Grade & Purity:

≥97%

Cas Number: 1602652-31-2
Molecular Weight: 220.26
PubChem CID: 57478429

In stock

Item Number

B629786

Grouped product items
SKU	Size	Availability	Price
B629786-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$193.90
B629786-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$310.90
B629786-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$517.90
B629786-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$775.90
B629786-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,881.90

Basic Description

Synonyms	1602652-31-2 \| AM85982 \| PB28524 \| benzyl cis-3-(hydroxymethyl)cyclobutanecarboxylate \| Rel-benzyl (1r,3r)-3-(hydroxymethyl)cyclobutane-1-carboxylate \| starbld0035986 \| SY098530 \| SY343829 \| AKOS037643733 \| AS-34350 \| PS-15863 \| 1602652-28-7 \| Rel-benzyl
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyloxycarbonyls
Intermediate Tree Nodes	Not available
Direct Parent	Benzyloxycarbonyls
Alternative Parents	Carboxylic acid esters Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzyloxycarbonyl - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl 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	benzyl 3-(hydroxymethyl)cyclobutane-1-carboxylate
INCHI	InChI=1S/C13H16O3/c14-8-11-6-12(7-11)13(15)16-9-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2
InChIKey	CVNZYRYFMPAVOS-UHFFFAOYSA-N
Smiles	C1C(CC1C(=O)OCC2=CC=CC=C2)CO
Isomeric SMILES	C1C(CC1C(=O)OCC2=CC=CC=C2)CO
Alternate CAS	939768-59-9
PubChem CID	57478429
Molecular Weight	220.26

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	220.260 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	220.11 Da
Monoisotopic Mass	220.11 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	227.000
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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