skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

organic aromatic compound > aromatic ether > surecn668028
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > cyanides > nitrile > surecn668028
... > organooxygen compound > carbonyl compound > carboxylic acid > aromatic carboxylic acid > benzoic acids > methoxybenzoic acid > surecn668028
... > organooxygen compound > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > methoxybenzoic acid > surecn668028
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > methoxybenzoic acid > surecn668028
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > methoxybenzoic acid > surecn668028
organic aromatic compound > aromatic carboxylic acid > benzoic acids > methoxybenzoic acid > surecn668028

Preferred term

surecn668028  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C10H9NO3

has_functional_parent

has_role

inchi

  • InChI=1S/C10H9NO3/c1-14-9-4-2-3-8(10(12)13)7(9)5-6-11/h2-4H,5H2,1H3,(H,12,13)

inchikey

  • GVJMTMMPLOGKCG-UHFFFAOYSA-N

mass

  • 191.18340

monoisotopicmass

  • 191.05824

smiles

  • COc1cccc(C(O)=O)c1CC#N

subset

  • 3_STAR

synonym EXACT

  • 2-(cyanomethyl)-3-methoxybenzoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:74932

Download this concept:

RDF/XML TURTLE JSON-LD