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4，4'-(Cyclododecane-1，1-diyl)diphenol - ≥97%, high purity , CAS No.29651-54-5

COA

Grade & Purity:

≥97%

Cas Number: 29651-54-5
MDL number: MFCD28369391
PubChem CID: 15850060

In stock

Item Number

D770286

Grouped product items
SKU	Size	Availability	Price	Qty
D770286-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$22.90
D770286-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$58.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Room temperature,Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Diphenylmethanes
Intermediate Tree Nodes	Not available
Direct Parent	Diphenylmethanes
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Diphenylmethane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
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	4-[1-(4-hydroxyphenyl)cyclododecyl]phenol
INCHI	InChI=1S/C24H32O2/c25-22-14-10-20(11-15-22)24(21-12-16-23(26)17-13-21)18-8-6-4-2-1-3-5-7-9-19-24/h10-17,25-26H,1-9,18-19H2
InChIKey	BHWMWBACMSEDTE-UHFFFAOYSA-N
Smiles	C1CCCCCC(CCCCC1)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
Isomeric SMILES	C1CCCCCC(CCCCC1)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
Alternate CAS	29651-54-5
PubChem CID	15850060

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	352.500 g/mol
XLogP3	8.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	352.24 Da
Monoisotopic Mass	352.24 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	342.000
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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