Name: 4-(hydroxymethyl)oxane-4-carbonitrile - ≥97% , CAS No.1010836-56-2
Brand: Aladdin Scientific
SKU: O626526
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Oxanes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Oxanes
Alternative Parents	Oxacyclic compounds Nitriles Dialkyl ethers Primary alcohols Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Oxane - Oxacycle - Nitrile - Carbonitrile - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.
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 Structure

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	141.170 g/mol
XLogP3	-0.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	141.079 Da
Monoisotopic Mass	141.079 Da
Topological Polar Surface Area	53.300 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	152.000
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

Solution Calculators

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Reviews

Canonical Smiles	C1COCCC1(CO)C#N
IUPAC Name	4-(hydroxymethyl)oxane-4-carbonitrile
InChIKey	AZJLUZLWQDMMOG-UHFFFAOYSA-N
INCHI	1S/C7H11NO2/c8-5-7(6-9)1-3-10-4-2-7/h9H,1-4,6H2
Isomeric SMILES	C1COCCC1(CO)C#N
PubChem CID	24936998
Molecular Weight	141.17

4-(hydroxymethyl)oxane-4-carbonitrile - ≥97% , CAS No.1010836-56-2

Specifications