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benzyl 3-oxocyclobutane-1-carboxylate - 97%, high purity , CAS No.198995-91-4

COA

Grade & Purity:

≥97%

Cas Number: 198995-91-4
Molecular Weight: 204.22
PubChem CID: 15830669

In stock

Item Number

B175474

Grouped product items
SKU	Size	Availability	Price
B175474-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$36.90
B175474-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$49.90
B175474-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$117.90
B175474-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$424.90

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Aromatic Ring Compounds (348) Molecular block (319)

Basic Description

Synonyms	AS-31636 \| CS-M3453 \| SY011053 \| Cyclobutanecarboxylic acid, 3-oxo-, phenylmethyl ester \| Benzyl 3-Oxocyclobutanecarboxylate \| 3-oxocyclobutanecarboxylic acid benzyl ester \| 3-OXO-CYCLOBUTANECARBOXYLIC ACID BENZYL ESTER \| benzyl?3-oxocyclobutanecarboxylat
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyloxycarbonyls
Intermediate Tree Nodes	Not available
Direct Parent	Benzyloxycarbonyls
Alternative Parents	Cyclic ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzyloxycarbonyl - Cyclic ketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - 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 benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
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	benzyl 3-oxocyclobutane-1-carboxylate
INCHI	InChI=1S/C12H12O3/c13-11-6-10(7-11)12(14)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKey	OPGPYIKNRCXNQY-UHFFFAOYSA-N
Smiles	C1C(CC1=O)C(=O)OCC2=CC=CC=C2
Isomeric SMILES	C1C(CC1=O)C(=O)OCC2=CC=CC=C2
Molecular Weight	204.22
Reaxy-Rn	7871514
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7871514&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	204.220 g/mol
XLogP3	1.000
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	43.400 Å²
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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