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3-Benzylidenecamphor - analytical standard, high purity , CAS No.15087-24-8

COA

Grade & Purity:

analytical standard

Cas Number: 15087-24-8
Molecular Weight: 240.34
MDL number: MFCD00441748
PubChem CID: 27021

In stock

Item Number

B770773

Grouped product items
SKU	Size	Availability	Price
B770773-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$483.90
B770773-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,286.90
B770773-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,449.90

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Metabolite (5307)

Basic Description

Specifications & Purity	analytical standard
Storage Temp	Room temperature
Shipped In	Normal
Grade	analytical standard

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	Aromatic monoterpenoids Benzene and substituted derivatives Ketones Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Bicyclic monoterpenoid - Bornane monoterpenoid - Aromatic monoterpenoid - Benzenoid - Monocyclic benzene moiety - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic 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	3-benzylidene-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
INCHI	InChI=1S/C17H20O/c1-16(2)14-9-10-17(16,3)15(18)13(14)11-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3
InChIKey	OIQXFRANQVWXJF-UHFFFAOYSA-N
Smiles	CC1(C2CCC1(C(=O)C2=CC3=CC=CC=C3)C)C
Isomeric SMILES	CC1(C2CCC1(C(=O)C2=CC3=CC=CC=C3)C)C
PubChem CID	27021
Molecular Weight	240.34

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	240.340 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	240.151 Da
Monoisotopic Mass	240.151 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	398.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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