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Methyl phenanthrene-3-carboxylate - ≥97%, high purity , CAS No.5345-98-2

COA

Grade & Purity:

≥97%

Cas Number: 5345-98-2
Molecular Weight: 236.2653
MDL number: MFCD04113861
PubChem CID: 219943

In stock

Item Number

M769655

Grouped product items
SKU	Size	Availability	Price
M769655-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$693.90
M769655-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,248.90
M769655-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,496.90

Basic Description

Specifications & Purity	≥97%
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 Benzenoids
  - Class Phenanthrenes and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenanthrenes and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenanthrenes and derivatives
Alternative Parents	Naphthalenecarboxylic acids Methyl esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Phenanthrene - 2-naphthalenecarboxylic acid or derivatives - 2-naphthalenecarboxylic acid - Naphthalene - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
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/C16H12O2/c1-18-16(17)13-9-8-12-7-6-11-4-2-3-5-14(11)15(12)10-13/h2-10H,1H3
InChIKey	PFARRVCKSKRETF-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC2=C(C=CC3=CC=CC=C32)C=C1
Isomeric SMILES	COC(=O)C1=CC2=C(C=CC3=CC=CC=C32)C=C1
Molecular Weight	236.2653

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	236.260 g/mol
XLogP3	4.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	236.084 Da
Monoisotopic Mass	236.084 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	312.000
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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