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

CAS: 37827-68-2 Cat. No.: H193079 분자식: C₁₀H₁₀O₂ 분자량: 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

동의어

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

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥97%

이름과 식별자

• Pubchem Sid: 528762801
• 정식 스마일: 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
• 이성체 SMILES: C1CC2=C(CC1=O)C=C(C=C2)O
• 분자량: 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
    • 분류 Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 분자량: 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