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BENZENE，1，1'-(3-METHYL-1-PROP - ≥95%, high purity , CAS No.7614-93-9

COA

Grade & Purity:

≥95%

Cas Number: 7614-93-9
Molecular Weight: 208.2982
PubChem CID: 5370545

In stock

Item Number

B769434

Grouped product items
SKU	Size	Availability	Price	Qty
B769434-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$679.90

Basic Description

Specifications & Purity	≥95%
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 Phenylpropanoids and polyketides
  - Class Linear 1,3-diarylpropanoids

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Linear 1,3-diarylpropanoids
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Linear 1,3-diarylpropanoids
Alternative Parents	Styrenes Aromatic hydrocarbons Cyclic olefins
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Linear 1,3-diarylpropanoid - Styrene - Benzenoid - Monocyclic benzene moiety - Aromatic hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.
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/C16H16/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-14H,1H3/b13-12+
InChIKey	GNQWHYWLSGTMSL-OUKQBFOZSA-N
Smiles	CC(C=CC1=CC=CC=C1)C2=CC=CC=C2
Isomeric SMILES	CC(/C=C/C1=CC=CC=C1)C2=CC=CC=C2
Molecular Weight	208.2982

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	208.300 g/mol
XLogP3	4.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	208.125 Da
Monoisotopic Mass	208.125 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	204.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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