Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 7 results

Search term: UKAUYVFTDYCKQA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
12126


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
C4H9NO3119.119216017952654
758

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)
C4H9NO3119.11921478012093237
2006329

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1
C4H9NO3119.11921198763
20171468

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/p-1
C4H8NO3118.11181102
75565744

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1/i1D2,2+1,3D
C313CH6D3NO3123.13031100
107451362

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1/i1D2,2D2
C4H5D4NO3123.14381100

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