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2-Methylglycidol - ≥95%, high purity , CAS No.872-30-0
Basic Description
Specifications & Purity
≥95%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Epoxides
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Epoxides
Alternative Parents
Oxacyclic compounds Dialkyl ethers Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Oxacycle - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as epoxides. These are compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms).
External Descriptors
Not available
Data sources
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.
Names and Identifiers
IUPAC Name
(2-methyloxiran-2-yl)methanol
INCHI
InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3
InChIKey
AAVHHYWBSVSPPN-UHFFFAOYSA-N
Smiles
CC1(CO1)CO
Isomeric SMILES
CC1(CO1)CO
PubChem CID
97754
Molecular Weight
88.11
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
88.110 g/mol
XLogP3
-0.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
88.0524 Da
Monoisotopic Mass
88.0524 Da
Topological Polar Surface Area
32.800 Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
62.600
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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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