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: KGQMQNPFMOBJCY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
113261

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H16N4O3/c1-5-7(14)13-9(12-5)11-4-2-3-6(10)8(15)16/h5-6H,2-4,10H2,1H3,(H,15,16)(H2,11,12,13,14)/t5?,6-/m0/s1
C9H16N4O3228.2483242800
28688907

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C9H16N4O3/c1-5-7(14)13-9(12-5)11-4-2-3-6(10)8(15)16/h5-6H,2-4,10H2,1H3,(H,15,16)(H2,11,12,13,14)
C9H16N4O3228.248310800
48061810

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C9H16N4O3/c1-5-7(14)13-9(12-5)11-4-2-3-6(10)8(15)16/h5-6H,2-4,10H2,1H3,(H,15,16)(H2,11,12,13,14)/t5?,6-/m0/s1/i2D2,3D2,4D2
C9H10D6N4O3234.28536600
59053827

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H16N4O3/c1-5-7(14)13-9(12-5)11-4-2-3-6(10)8(15)16/h5-6H,2-4,10H2,1H3,(H,15,16)(H2,11,12,13,14)/t5-,6+/m1/s1
C9H16N4O3228.24833300
113588684

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H16N4O3/c1-5-7(14)13-9(12-5)11-4-2-3-6(10)8(15)16/h5-6H,2-4,10H2,1H3,(H,15,16)(H2,11,12,13,14)/t5?,6-/m1/s1
C9H16N4O3228.24832200
117012745

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C9H16N4O3/c1-5-7(14)13-9(12-5)11-4-2-3-6(10)8(15)16/h5-6H,2-4,10H2,1H3,(H,15,16)(H2,11,12,13,14)/t5?,6-/m0/s1/i1D3
C9H13D3N4O3231.26681100
78076132

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C9H16N4O3/c1-5-7(14)13-9(12-5)11-4-2-3-6(10)8(15)16/h5-6H,2-4,10H2,1H3,(H,15,16)(H2,11,12,13,14)/t5?,6-/m1/s1/i2D2,3D2,4D2
C9H10D6N4O3234.28531100

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