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9-Methylanthracene - analytical standard, high purity , CAS No.779-02-2
Basic Description
Synonyms
AKOS015842090 | F19679 | CCRIS 2740 | Q18467085 | M0153 | InChI=1/C15H12/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13/h2-10H,1H | 9-Methylanthracene, analytical standard | FT-0621680 | 65NK4CIN03 | BBL103720 | 9-Methylanthracene, 98% | NSC 400540 | Anthr
Specifications & Purity
analytical standard
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Anthracenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Anthracenes
Alternative Parents
Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Anthracene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
External Descriptors
Not available
Data sources
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
9-methylanthracene
INCHI
InChI=1S/C15H12/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13/h2-10H,1H3
InChIKey
CPGPAVAKSZHMBP-UHFFFAOYSA-N
Smiles
CC1=C2C=CC=CC2=CC3=CC=CC=C13
Isomeric SMILES
CC1=C2C=CC=CC2=CC3=CC=CC=C13
WGK Germany
3
RTECS
CB0700000
UN Number
3077
Molecular Weight
192.26
Beilstein
1907463
Reaxy-Rn
1907463
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907463&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Boil Point(°C)
196-197°C/16mmHg
Melt Point(°C)
76-79°C
Molecular Weight
192.250 g/mol
XLogP3
5.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
0
Exact Mass
192.094 Da
Monoisotopic Mass
192.094 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
198.000
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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I1205010