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2-ADAMANTANECARBOXZALDEHYDE - ≥97%, high purity , CAS No.39750-93-1

COA

Grade & Purity:

≥97%

Cas Number: 39750-93-1
Molecular Weight: 164.24
PubChem CID: 12470455

In stock

Item Number

A769247

Grouped product items
SKU	Size	Availability	Price	Qty
A769247-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,775.90
A769247-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$5,326.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organic oxides

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organic oxides
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Organic oxides
Alternative Parents	Hydrocarbon derivatives Aldehydes
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as organic oxides. These are organic compounds containing an oxide 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

INCHI	InChI=1S/C11H16O/c12-6-11-9-2-7-1-8(4-9)5-10(11)3-7/h6-11H,1-5H2
InChIKey	VGBBJZYOAOCLLS-UHFFFAOYSA-N
Smiles	C1C2CC3CC1CC(C2)C3C=O
Isomeric SMILES	C1C2CC3CC1CC(C2)C3C=O
Molecular Weight	164.24

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

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

Analytical Chart:

Chemical and Physical Properties

Flash Point(°C)	85.5±11.2°C
Boil Point(°C)	247.5±9.0°C (760 Torr)
Melt Point(°C)	158-160°C
Molecular Weight	164.240 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	164.12 Da
Monoisotopic Mass	164.12 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	181.000
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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