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4-Benzyldihydrofuran-2(3H)-one - ≥98%, high purity , CAS No.22530-98-9

COA

Grade & Purity:

≥98%

Cas Number: 22530-98-9
Molecular Weight: 176.21
PubChem CID: 5150640

In stock

Item Number

B709478

Grouped product items
SKU	Size	Availability	Price
B709478-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$185.90
B709478-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$466.90
B709478-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,433.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Lactones
    - Subclass Gamma butyrolactones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Lactones
Subclass	Gamma butyrolactones
Intermediate Tree Nodes	Not available
Direct Parent	Gamma butyrolactones
Alternative Parents	Benzene and substituted derivatives Oxolanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzenoid - Gamma butyrolactone - Monocyclic benzene moiety - Oxolane - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as gamma butyrolactones. These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.
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	4-benzyloxolan-2-one
INCHI	InChI=1S/C11H12O2/c12-11-7-10(8-13-11)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKey	YKUMFVKVLCXLOE-UHFFFAOYSA-N
Smiles	C1C(COC1=O)CC2=CC=CC=C2
Isomeric SMILES	C1C(COC1=O)CC2=CC=CC=C2
PubChem CID	5150640
Molecular Weight	176.21

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	176.210 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	176.084 Da
Monoisotopic Mass	176.084 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	183.000
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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