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[(3-Hydroxyphenyl)Methoxymethylene]Tricyclo[3.3.1.13.7]-Decane - ≥97%, high purity , CAS No.121445-45-2

COA

Grade & Purity:

≥97%

Cas Number: 121445-45-2
Molecular Weight: 270.37
PubChem CID: 578733

In stock

Item Number

M768586

Grouped product items
SKU	Size	Availability	Price	Qty
M768586-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$172.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged,Desiccated
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 Benzenoids
  - Class Phenols
    - Subclass 1-hydroxy-4-unsubstituted benzenoids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	1-hydroxy-4-unsubstituted benzenoids
Intermediate Tree Nodes	Not available
Direct Parent	1-hydroxy-4-unsubstituted benzenoids
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position.
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/C18H22O2/c1-20-18(13-3-2-4-16(19)10-13)17-14-6-11-5-12(8-14)9-15(17)7-11/h2-4,10-12,14-15,19H,5-9H2,1H3
InChIKey	UOQZATKCYBGHSE-UHFFFAOYSA-N
Smiles	COC(=C1C2CC3CC(C2)CC1C3)C4=CC(=CC=C4)O
Isomeric SMILES	COC(=C1C2CC3CC(C2)CC1C3)C4=CC(=CC=C4)O
Molecular Weight	270.37

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	270.400 g/mol
XLogP3	4.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	270.162 Da
Monoisotopic Mass	270.162 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	382.000
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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