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 11 results

Search term: LRQKBLKVPFOOQJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
19964


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
C6H13NO2131.1729142476241459
9103


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
C6H13NO2131.17291412401333340
401917

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m1/s1
C6H13NO2131.1729108102657
48062722

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1/i1D3,2D2,3D2,4D2
C6H4D9NO2140.22846800
5256790

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/p-1/t5-/m0/s1
C6H12NO2130.16555500
107439619

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/i1D3,2D2,3D2,4D2
C6H4D9NO2140.22844400
78076054

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m1/s1/i1D3,2D2,3D2,4D2
C6H4D9NO2140.22843500
57267033

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m1/s1/i6+2
C514CH13NO2133.16552100
11624895

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/p-1
C6H12NO2130.165511464
110406123

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/i6+2
C514CH13NO2133.16551100

Advertisement