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benzyl 2-(oxetan-3-ylidene)acetate - 97%, high purity , CAS No.1242160-03-7
Discover benzyl 2-(oxetan-3-ylidene)acetate by Aladdin Scientific in 97% for only $1,752.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
benzyl 2-(oxetan-3-ylidene)acetate | 1242160-03-7 | MFCD20444447 | ACETIC ACID, 2-(3-OXETANYLIDENE)-, PHENYLMETHYL ESTER | SCHEMBL440768 | Benzyl oxetan-3-ylideneacetate | Benzyl (oxetan-3-ylidene)acetate | DTXSID70716722 | HHQLRHRBQDOIQS-UHFFFAOYSA-N | benzyl2-(oxetan-3-y
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzyloxycarbonyls
Intermediate Tree Nodes
Not available
Direct Parent
Benzyloxycarbonyls
Alternative Parents
Enoate esters Oxetanes Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzyloxycarbonyl - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Oxetane - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
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
benzyl 2-(oxetan-3-ylidene)acetate
INCHI
InChI=1S/C12H12O3/c13-12(6-11-7-14-8-11)15-9-10-4-2-1-3-5-10/h1-6H,7-9H2
InChIKey
HHQLRHRBQDOIQS-UHFFFAOYSA-N
Smiles
C1C(=CC(=O)OCC2=CC=CC=C2)CO1
Isomeric SMILES
C1C(=CC(=O)OCC2=CC=CC=C2)CO1
Molecular Weight
204.225
Reaxy-Rn
20649089
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20649089&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
204.220 g/mol
XLogP3
0.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
204.079 Da
Monoisotopic Mass
204.079 Da
Topological Polar Surface Area
35.500 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
246.000
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
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