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3-Phenanthrol , CAS No.605-87-8

COA

Cas Number: 605-87-8
Molecular Weight: 194.23
PubChem CID: 95724

In stock

Item Number

P355653

Grouped product items
SKU	Size	Availability	Price	Qty
P355653-2.5mg	2.5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$581.90

Basic Description

Synonyms	FT-0673670 \| CHEBI:20184 \| J-512653 \| 3-Phenanthrenol \| 3-Phenanthrol \| phenanthren-3-ol \| A832798 \| NGPOABOEXMDQBT-UHFFFAOYSA-N \| 3-AMINO-3-(4,5-DIMETHOXY-2-NITRO-PHENYL)-PROPIONICACID \| NSC 30984 \| UNII-P2E3GX5W4Q \| Q27109287 \| 1-[2-(3,4-dimethoxyphenyl
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.
Product Description	3-Phenanthrol is a metabolite of Phenanthrene.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenanthrenes and derivatives
    - Subclass Phenanthrols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenanthrenes and derivatives
Subclass	Phenanthrols
Intermediate Tree Nodes	Not available
Direct Parent	Phenanthrols
Alternative Parents	Naphthols and derivatives 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Phenanthrol - 2-naphthol - Naphthalene - 1-hydroxy-2-unsubstituted benzenoid - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenanthrols. These are compounds containing a phenanthrene (or its hydrogenated derivative) to which a hydroxyl group is attached.
External Descriptors	phenanthrol
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	phenanthren-3-ol
INCHI	InChI=1S/C14H10O/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9,15H
InChIKey	NGPOABOEXMDQBT-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)O
Isomeric SMILES	C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)O
PubChem CID	95724
Molecular Weight	194.23

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Soluble in Acetone and Dichloromethane
Melt Point(°C)	116-118° C
Molecular Weight	194.230 g/mol
XLogP3	4.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	194.073 Da
Monoisotopic Mass	194.073 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	225.000
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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