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(R,R)-Bicyclo[2.2.1]heptane-2,5-dione - 98%, high purity , CAS No.145092-77-9

COA

Grade & Purity:

≥98%

Cas Number: 145092-77-9
Molecular Weight: 124.14
PubChem CID: 637910

In stock

Item Number

R472257

Grouped product items
SKU	Size	Availability	Price	Qty
R472257-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$628.90

Basic Description

Synonyms	(1R,4R)-bicyclo[2.2.1]heptane-2,5-dione \| (R,R)-Bicyclo[2.2.1]heptane-2,5-dione \| DTXSID90348509 \| (R,R)-Bicyclo[2.2.1]heptane-2,5-dione, 98% \| AC5793 \| SCHEMBL17839935
Specifications & Purity	≥98%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Prenol lipids
    - Subclass Monoterpenoids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids
Subclass	Monoterpenoids
Intermediate Tree Nodes	Not available
Direct Parent	Bicyclic monoterpenoids
Alternative Parents	Ketones Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Bicyclic monoterpenoid - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
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	(1R,4R)-bicyclo[2.2.1]heptane-2,5-dione
INCHI	InChI=1S/C7H8O2/c8-6-2-4-1-5(6)3-7(4)9/h4-5H,1-3H2/t4-,5-/m1/s1
InChIKey	RVFBNLMXCXFOET-RFZPGFLSSA-N
Smiles	C1C2CC(=O)C1CC2=O
Isomeric SMILES	C1[C@@H]2CC(=O)[C@H]1CC2=O
WGK Germany	3
PubChem CID	637910
Molecular Weight	124.14

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	124.140 g/mol
XLogP3	-0.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	124.052 Da
Monoisotopic Mass	124.052 Da
Topological Polar Surface Area	34.100 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	163.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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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