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9-(2-Hydroxyethyl)anthracene - ≥98%, high purity , CAS No.54060-73-0
Basic Description
Synonyms
H0970 | NSC133908 | NSC-133908 | 2-(9-anthracenyl)ethanol | 2-(9-Anthryl)ethanol | 2-(9--anthryl)ethanol | AS-58511 | 2-(9-Anthryl)ethanol, AldrichCPR | DTXSID70299969 | A870552 | 2-anthracen-9-ylethanol | AKOS015856533 | MFCD01318099 | 2-(Anthracen-9-yl)
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Anthracenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Anthracenes
Alternative Parents
Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Anthracene - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - 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.
Names and Identifiers
Pubchem Sid
504758290
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504758290
IUPAC Name
2-anthracen-9-ylethanol
INCHI
InChI=1S/C16H14O/c17-10-9-16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16/h1-8,11,17H,9-10H2
InChIKey
KLNMQYHQWUWCPG-UHFFFAOYSA-N
Smiles
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CCO
Isomeric SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CCO
Molecular Weight
222.29
Reaxy-Rn
2416996
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2416996&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
125 °C
Molecular Weight
222.280 g/mol
XLogP3
4.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
222.104 Da
Monoisotopic Mass
222.104 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
228.000
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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K2313208