7-Hydroxy-2-tetralone - ≥97% , CAS No.37827-68-2

CAS: 37827-68-2 Cat. No.: H193079 Molecular Weight: 162.19

GRADE & PURITY ≥97%

Synonyms

7-HYDROXY-1,2,3,4-TETRAHYDRONAPHTHALEN-2-ONE | 7-HYDROXYL-2-TETRALONE | 7-hydroxy-2-tetralone, AldrichCPR | J-519267 | A823894 | AB17138 | AKOS006295401 | 7-Hydroxy-2-tetralone | FT-0650340 | LTLOEHIVHXTMBN-UHFFFAOYSA-N | 7-hydroxy-3,4-dihydro-1H-naphthal

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

7-HYDROXY-1, 2, 3, 4-TETRAHYDRONAPHTHALEN-2-ONE | 7-HYDROXYL-2-TETRALONE | 7-hydroxy-2-tetralone, AldrichCPR | J-519267 | A823894 | AB17138 | AKOS006295401 | 7-Hydroxy-2-tetralone | FT-0650340 | LTLOEHIVHXTMBN-UHFFFAOYSA-N | 7-hydroxy-3, 4-dihydro-1H-naphthal

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CC2=C(CC1=O)C=C(C=C2)O
• IUPAC Name: 7-hydroxy-3,4-dihydro-1H-naphthalen-2-one
• InChIKey: LTLOEHIVHXTMBN-UHFFFAOYSA-N
• INCHI: 1S/C10H10O2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5,11H,2,4,6H2
• Isomeric SMILES: C1CC2=C(CC1=O)C=C(C=C2)O
• Molecular Weight: 162.19
• Reaxy-Rn: 2361787
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2361787&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 162.180 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 162.068 Da
• Monoisotopic Mass: 162.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 188.000
• 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