Name: 3-(hydroxymethyl)cyclobutanol - ≥97% , CAS No.1245647-03-3
SKU: C627698
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Klasse	Organooxygen compounds
Subclass	Alcohols and polyols
Intermediate Tree Nodes	Not available
Direct Parent	Cyclic alcohols and derivatives
Alternative Parents	Secondary alcohols Primary alcohols Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Secondary alcohol - Cyclobutanol - Hydrocarbon derivative - Primary alcohol - Aliphatic homomonocyclic compound
Beschreibung	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

3D-Struktur

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

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

Analytical Chart:

Chemische und physikalische Eigenschaften

Molekulargewicht	102.130 g/mol
XLogP3	-0.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	102.068 Da
Monoisotopic Mass	102.068 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	57.100
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

Lösungsrechner

Determine the necessary mass, volume, or concentration for preparing a solution.

Determine the dilution needed to prepare a stock solution.

Bewertungen

Kanonisches Lächeln	C1C(CC1O)CO
IUPAC Name	3-(hydroxymethyl)cyclobutan-1-ol
InChIKey	PJMLHATZVMHVHC-UHFFFAOYSA-N
INCHI	1S/C5H10O2/c6-3-4-1-5(7)2-4/h4-7H,1-3H2
Isomere SMILES	C1C(CC1O)CO
Alternative CAS-Nummer	112623-19-5,1245647-03-3
PubChem CID	14045176
Molekulargewicht	102.13

3-(hydroxymethyl)cyclobutanol - ≥97% , CAS No.1245647-03-3

Specifications