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2,2-dimethylcyclobutane-1,3-diol - 97%, high purity , CAS No.1443981-71-2

COA

Grade & Purity:

≥97%

Cas Number: 1443981-71-2
Molecular Weight: 116.16
EC Number: 842-213-9
PubChem CID: 57239380

In stock

Item Number

D629251

Grouped product items
SKU	Size	Availability	Price
D629251-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$159.90
D629251-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$254.90
D629251-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$424.90
D629251-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$636.90
D629251-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,186.90

Basic Description

Synonyms	2,2-dimethylcyclobutane-1,3-diol \| MFCD24842799 \| 1443981-71-2 \| EN300-127862 \| SY148721 \| PS-17947 \| AKOS026727184 \| AB92709 \| SCHEMBL21198636 \| AT20121
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 Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Secondary alcohol - Cyclobutanol - Hydrocarbon derivative - 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	2,2-dimethylcyclobutane-1,3-diol
INCHI	InChI=1S/C6H12O2/c1-6(2)4(7)3-5(6)8/h4-5,7-8H,3H2,1-2H3
InChIKey	CREZVKNYLKCGGU-UHFFFAOYSA-N
Smiles	CC1(C(CC1O)O)C
Isomeric SMILES	CC1(C(CC1O)O)C
Alternate CAS	1443981-71-2
PubChem CID	57239380
Molecular Weight	116.16

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	116.160 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	116.084 Da
Monoisotopic Mass	116.084 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	88.700
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
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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