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3-(benzyloxy)cyclohexan-1-one - 97%, high purity , CAS No.123990-98-7

COA

Grade & Purity:

≥97%

Cas Number: 123990-98-7
Molecular Weight: 204.27
PubChem CID: 11333179

In stock

Item Number

C627649

Grouped product items
SKU	Size	Availability	Price
C627649-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$275.90
C627649-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,103.90
C627649-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,205.90

Basic Description

Synonyms	3-(benzyloxy)cyclohexanone \| 123990-98-7 \| rac 3-Benzyloxy-cyclohexanone \| 3-phenylmethoxycyclohexan-1-one \| 3-(BENZYLOXY)CYCLOHEXAN-1-ONE \| MFCD16039569 \| 3-Benzyloxy-cyclohexanone \| AKOS015996121 \| BS-43235 \| P18928
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzylethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzylethers
Intermediate Tree Nodes	Not available
Direct Parent	Benzylethers
Alternative Parents	Cyclic ketones Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzylether - Cyclic ketone - Ketone - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
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

Names and Identifiers

IUPAC Name	3-phenylmethoxycyclohexan-1-one
INCHI	InChI=1S/C13H16O2/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-3,5-6,13H,4,7-10H2
InChIKey	DTRKMFPYPATAJO-UHFFFAOYSA-N
Smiles	C1CC(CC(=O)C1)OCC2=CC=CC=C2
Isomeric SMILES	C1CC(CC(=O)C1)OCC2=CC=CC=C2
PubChem CID	11333179
Molecular Weight	204.27

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	204.260 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	204.115 Da
Monoisotopic Mass	204.115 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	207.000
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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