CHEBI:29202 - isocyanic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name isocyanic acid
ChEBI ID CHEBI:29202
Definition A colourless, volatile, poisonous inorganic compound with the formula HNCO; the simplest stable chemical compound that contains carbon, hydrogen, nitrogen, and oxygen, the four most commonly-found elements in organic chemistry and biology.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula CHNO
Net Charge 0
Average Mass 43.02478
Monoisotopic Mass 43.006
InChI InChI=1S/CHNO/c2-1-3/h2H
InChIKey OWIKHYCFFJSOEH-UHFFFAOYSA-N
SMILES N=C=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via hydracid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing isocyanic acid (CHEBI:29202) is a hydracid (CHEBI:33405)
isocyanic acid (CHEBI:29202) is a one-carbon compound (CHEBI:64708)
isocyanic acid (CHEBI:29202) is conjugate acid of cyanate (CHEBI:29195)
isocyanic acid (CHEBI:29202) is tautomer of cyanic acid (CHEBI:28024)
Incoming isocyanates (CHEBI:53212) has functional parent isocyanic acid (CHEBI:29202)
cyanate (CHEBI:29195) is conjugate base of isocyanic acid (CHEBI:29202)
isocyanato group (CHEBI:29810) is substituent group from isocyanic acid (CHEBI:29202)
cyanic acid (CHEBI:28024) is tautomer of isocyanic acid (CHEBI:29202)
IUPAC Name
isocyanic acid
Synonyms Sources
[C(NH)O] IUPAC
carbimide ChEBI
HN=C=O NIST Chemistry WebBook
HNCO IUPAC
hydrogen isocyanate NIST Chemistry WebBook
ICA ChEBI
isocyansäure ChEBI
isozyansäure ChEBI
methenamide ChEBI
oxidoazanediidocarbon IUPAC
Registry Numbers Types Sources
1616281 Beilstein Registry Number Beilstein
1616281 Reaxys Registry Number Reaxys
75-13-8 CAS Registry Number NIST Chemistry WebBook
75-13-8 CAS Registry Number ChemIDplus
840 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
19494520 PubMed citation Europe PMC
26124058 PubMed citation Europe PMC
26760716 PubMed citation Europe PMC
977566 PubMed citation Europe PMC
Last Modified
14 April 2016