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2，3，4，5-Tetrahydrobenzo[b]oxepin-5-ol - ≥95%, high purity , CAS No.20426-87-3

COA

Grade & Purity:

≥95%

Cas Number: 20426-87-3
Molecular Weight: 164.2
PubChem CID: 315576

In stock

Item Number

T697354

Grouped product items
SKU	Size	Availability	Price	Qty
T697354-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,855.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzoxepines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzoxepines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzoxepines
Alternative Parents	Alkyl aryl ethers Benzenoids Secondary alcohols Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzoxepine - Alkyl aryl ether - Benzenoid - Secondary alcohol - Oxacycle - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring (an unsaturated seven-membered heterocycle with one oxygen atom replacing a carbon atom).
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	2,3,4,5-tetrahydro-1-benzoxepin-5-ol
INCHI	InChI=1S/C10H12O2/c11-9-5-3-7-12-10-6-2-1-4-8(9)10/h1-2,4,6,9,11H,3,5,7H2
InChIKey	OJZWTYXMABCBFG-UHFFFAOYSA-N
Smiles	C1CC(C2=CC=CC=C2OC1)O
Isomeric SMILES	C1CC(C2=CC=CC=C2OC1)O
PubChem CID	315576
Molecular Weight	164.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	164.200 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	164.084 Da
Monoisotopic Mass	164.084 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	147.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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2，3，4，5-Tetrahydrobenzo[b]oxepin-5-ol - ≥95%, high purity , CAS No.20426-87-3

Basic Description