1,7-Dihydroxynaphthalene - ≥98%(GC) , CAS No.575-38-2

CAS: 575-38-2 Cat. No.: D156007 분자식: C₁₀H₈O₂ 분자량: 160.17 Beilstein Registry Number: 1908500 EC 번호: 209-383-0

GRADE & PURITY ≥98%(GC)

Synonyms

MFCD00035720 | A18920 | AKOS005444304 | AB01334083-02 | NSC 62686 | AC-24466 | DTXSID0060359 | Q27268099 | D87698 | NSC62686 | NSC-62686 | 1-Hydroxy-7-naphthol | EN300-194280 | SCHEMBL29616 | EINECS 209-383-0 | LCZC00013 | CCRIS 7895 | AS-12658 | STK36841

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

MFCD00035720 | A18920 | AKOS005444304 | AB01334083-02 | NSC 62686 | AC-24466 | DTXSID0060359 | Q27268099 | D87698 | NSC62686 | NSC-62686 | 1-Hydroxy-7-naphthol | EN300-194280 | SCHEMBL29616 | EINECS 209-383-0 | LCZC00013 | CCRIS 7895 | AS-12658 | STK36841

사양 및 순도

≥98%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

488184146

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184146

정식 스마일

C1=CC2=C(C=C(C=C2)O)C(=C1)O

IUPAC Name

naphthalene-1,7-diol

InChIKey

ZUVBIBLYOCVYJU-UHFFFAOYSA-N

INCHI

1S/C10H8O2/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h1-6,11-12H

이성체 SMILES

C1=CC2=C(C=C(C=C2)O)C(=C1)O

WGK 독일

2

RTECS

QJ4746666

분자량

160.17

Beilstein

1908500

Reaxy-Rn

1908499

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1908499&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Naphthalenes
• Subclass: Naphthols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthols and derivatives
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthol - 2-naphthol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
• 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

관련 대상(인간)

T-24 (2342 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

Discover Target: IDO1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Slightly soluble in water.
• 발화점(°F): 485.6 °F
• 발화점(°C): 252 °C
• 녹는점(°C): 175 °C
• 분자량: 160.170 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 160.052 Da
• Monoisotopic Mass: 160.052 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 158.000
• 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