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 43 results

Search term: ONIBWKKTOPOVIA (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
594


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)
C5H9NO2115.1305190800280343319
128566


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
C5H9NO2115.130519011963284803548
8640

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1
C5H9NO2115.1305151329701268
17344954

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1/i5+1
C413CH9NO2116.1231151600
49071150

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1
13C5H915NO2121.0871101200
49071151

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1/i6+1
C5H915NO2116.123910900
49073054

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1
13C5H9NO2120.093710900
24532877

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/i4D
C5H8DNO2116.13661012056
24533571

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1/i3D2,4D
C5H6D3NO2118.148991805
24533784

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1/i3D2,4D
C5H6D3NO2118.14898902
60498006

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/i3D2,4D
C5H6D3NO2118.14897800
32819940

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1/i1+2,2+2,3+2,4+2,5+2
14C5H9NO2125.09326500
4574227

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p-1
C5H8NO2114.12316872
78076027

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1/i1D2,2D2,3D2,4D
C5H2D7NO2122.17366600
28565217

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/i5+1
C413CH9NO2116.12315300
48062811

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1
13C5H915NO2121.08715600
17345047

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/i1+1
C413CH9NO2116.12315400
17347168

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/i5+2
C414CH9NO2117.1234400
62991236

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/i1D2,2D2,3D2,4D
C5H2D7NO2122.17364300
4574230

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p+1/t4-/m0/s1
C5H10NO2116.13794400
123

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