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Cyanic acid , CAS No.420-05-3

Cyanic acid , CAS No.420-05-3

Name: Cyanic acid , CAS No.420-05-3
Brand: Aladdin Scientific
SKU: C667762
Availability: InStock

CAS: 420-05-3 Cat. No.: C667762 分子式: CHNO 分子量: 43.025

4 Citations COA

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Cyanic acid - CAS No(420-05-3) by Aladdin Scientific

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注文可能

Synonyms

Storage

Room temperature

仕様製品の性質名前と識別子詳細データ Taxonomic Classification 3 D構造関連ターゲット（人間）関連ターゲット（非人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）化学的性質と物理的性質 Citations of This Product ソリューション計算機レビュー

仕様

同義語

保管条件

Room temperature

製品の性質

ALogP

0.1

名前と識別子

カノニカル・スマイル

C(#N)O

IUPAC Name

cyanic acid

InChIKey

XLJMAIOERFSOGZ-UHFFFAOYSA-N

INCHI

1S/CHNO/c2-1-3/h3H

異性体SMILES

C(#N)O

分子量

43.025

Reaxy-Rn

1732479

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732479&ln=

詳細データ

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - 分類 Organic oxoanionic compounds
    - Subclass Cyanates

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
分類	Organic oxoanionic compounds
Subclass	Cyanates
Intermediate Tree Nodes	Not available
Direct Parent	Cyanates
Alternative Parents	Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Organic cyanate - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
説明	This compound belongs to the class of organic compounds known as cyanates. These are organic compounds containing the cyanate functional group with the formula [OCN]-.
External Descriptors	one-carbon compound - pseudohalogen oxoacid
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

3 D構造

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レビュー

📚 用途別の引用文献

Extraction & workup solvent1

Organic synthesis — reaction medium2

Other applications3

4 件の引用文献をすべて見る →

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分子量	43.025 g/mol
XLogP3	0.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	43.0058 Da
Monoisotopic Mass	43.0058 Da
Topological Polar Surface Area	44.000 Å²
Heavy Atom Count	3
Formal Charge	0
Complexity	31.300
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