Tropolone - Moligand™,10mM in DMSO , CAS No.533-75-5

Name: Tropolone - Moligand™,10mM in DMSO , CAS No.533-75-5
Brand: Aladdin Scientific
SKU: T424567
Availability: InStock

CAS: 533-75-5 Cat. No.: T424567 분자식: C₇H₆O₂ 분자량: 122.12 Beilstein Registry Number: 1904978 EC 번호: 208-577-2 PubChem CID: 10789

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Tropolone - Moligand™,10mM in DMSO CAS No(533-75-5) by Aladdin Scientific

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주문 가능

등급 & 순도 Moligand™ ? 10mM in DMSO

Synonyms

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

사양 이름과 식별자 고급 데이터 Taxonomic Classification 3D 구조 관련 대상(인간) 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 자주 묻는 질문과 기사 Citations of This Product 솔루션 계산기 리뷰

사양

동의어

사양 및 순도

Moligand™,10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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등급

Moligand™

이름과 식별자

Pubchem Sid

528773259

정식 스마일

C1=CC=C(C(=O)C=C1)O

IUPAC Name

2-hydroxycyclohepta-2,4,6-trien-1-one

InChIKey

MDYOLVRUBBJPFM-UHFFFAOYSA-N

INCHI

1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)

이성체 SMILES

C1=CC=C(C(=O)C=C1)O

WGK 독일

RTECS

GU4075000

PubChem CID

10789

분자량

122.12

Beilstein

1904978

Reaxy-Rn

1904978

고급 데이터

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Hydrocarbon derivatives
  - 분류 Tropones
    - Subclass Tropolones

Kingdom	Organic compounds
Superclass	Hydrocarbon derivatives
분류	Tropones
Subclass	Tropolones
Intermediate Tree Nodes	Not available
Direct Parent	Tropolones
Alternative Parents	Cyclic ketones Organic oxides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Tropolone - Cyclic ketone - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic homomonocyclic compound
설명	This compound belongs to the class of organic compounds known as tropolones. These are compounds containing tropone ring with a hydroxyl group at ring position 2.
External Descriptors	cyclic ketone
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

3D 구조

관련 대상(인간)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

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

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

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

CPA1 Tchem Carboxypeptidase A1 (146 Activities)

Discover Target: CPA1

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

MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)

Discover Target: MMP3

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

MMP8 Tchem Matrix metalloproteinase 8 (1942 Activities)

Discover Target: MMP8

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

DBH Tchem Dopamine beta-hydroxylase (131 Activities)

Discover Target: DBH

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

MMP1 Tchem Matrix metalloproteinase-1 (7046 Activities)

Discover Target: MMP1

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

ACHN (49357 Activities)

감도	heat sensitive&Moisture sensitive.
발화점(°F)	233.6 °F
발화점(°C)	112 °C
끓는점(°C)	80-84°C
녹는점(°C)	50-52°C
분자량	122.120 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	122.037 Da
Monoisotopic Mass	122.037 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	209.000
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

Tropolone - Moligand™,10mM in DMSO , CAS No.533-75-5

사양

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