Cyanic acid , CAS No.420-05-3

CAS: 420-05-3 Cat. No.: C667762 Fórmula: CHNO Peso molecular: 43.025

Synonyms

Cyanic acid|Zyansaeure|Cyansaeure|hydroxidonitridocarbon|HOCN|nitridooxocarbonic acid|hydrogen nitridooxocarbonate|cyanoalcohol|acide cyanique|acido cianico|acidum cyanicum|cyano alcohol|cyano-alcohol|HO-C.equiv.N|CYANIC ACID [MI]

Storage

Room temperature

Especificaciones

Sinónimos

Cyanic acid | Zyansaeure | Cyansaeure | hydroxidonitridocarbon | HOCN | nitridooxocarbonic acid | hydrogen nitridooxocarbonate | cyanoalcohol | acide cyanique | acido cianico | acidum cyanicum | cyano alcohol | cyano-alcohol | HO-C.equiv.N | CYANIC ACID [MI]

Condiciones de almacenamiento de almacenamiento

Room temperature

Propiedades del producto

ALogP

0.1

Nombres e identificadores

Sonrisas canónicas

C(#N)O

IUPAC Name

cyanic acid

InChIKey

XLJMAIOERFSOGZ-UHFFFAOYSA-N

INCHI

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

Isómeros SMILES

C(#N)O

Peso molecular

43.025

Reaxy-Rn

1732479

Reaxys-RN_link_address

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

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organic oxoanionic compounds
      • Subclass Cyanates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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

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

Objetivos asociados (humanos)

CA1 Tclin Carbonic anhydrase 1 (6 Activities)

Discover Target: CA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

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

CA6 Tclin Carbonic anhydrase VI (993 Activities)

Discover Target: CA6

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

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

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

CA9 Tclin Carbonic anhydrase IX (8255 Activities)

Discover Target: CA9

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

Objetivos asociados (no humanos)

Ca7 Carbonic anhydrase VII (3 Activities)

Discover Target: Ca7

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

Ca13 Carbonic anhydrase XIII (322 Activities)

Discover Target: Ca13

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

CA4 Carbonic anhydrase IV (1713 Activities)

Discover Target: CA4

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

Carbonic anhydrase (69 Activities)

Explore this target

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

CA Alpha carbonic anhydrase (93 Activities)

Discover Target: CA

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 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 Ų
• 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