Name: 2-methyloxetan-3-ol - ≥97% , CAS No.1420681-59-9
Brand: Aladdin Scientific
SKU: M629058
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Oxetanes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Oxetanes
Alternative Parents	Secondary alcohols Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Secondary alcohol - Oxetane - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as oxetanes. These are compounds containing an oxetane ring, which is a four-member saturated aliphatic ring with an oxygen, and three 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	88.110 g/mol
XLogP3	-0.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	88.0524 Da
Monoisotopic Mass	88.0524 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	53.500
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

Solution Calculators

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Reviews

Canonical Smiles	CC1C(CO1)O
IUPAC Name	2-methyloxetan-3-ol
InChIKey	KHCRYZBFFWBCMJ-UHFFFAOYSA-N
INCHI	1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3
Isomeric SMILES	CC1C(CO1)O
PubChem CID	14640738
Molecular Weight	88.11

2-methyloxetan-3-ol - ≥97% , CAS No.1420681-59-9

Specifications