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 20 results

Search term: KWTSXDURSIMDCE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
13852819


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
C9H13N135.2062711100917445286
5621

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
C9H13N135.20626413818071577
30477

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1
C9H13N135.2062596627570
2317691

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/i1D3,7D2,8D
C9H7D6N141.243186121500
2317689

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/i1D3,2D,3D,4D,5D,6D,7D2,8D
C9H2D11N146.27399181200
27472498

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/i1D3,2D,3D,4D,5D,6D
C9H5D8N143.255581100
24022412

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/i2D,3D,4D,5D,6D
C9H8D5N140.2375300
2317690

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/i2D,3D,4D,5D,6D,7D2
C9H6D7N142.2493475600
397371

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/i8-1
C811CH13N134.2074300
32818163

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/i1D3,7D,8D
C9H8D5N140.2374600
3270986

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/p+1
C9H14N136.21363300
9732072

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/i1+1,10+1
C813CH1315N137.19232100
17346202

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1/i1D3
C9H10D3N138.22472200
49073154

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/i1D3,2D,3D,4D,5D,6D,7D,8D
C9H3D10N145.26781200
57498688

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/i7D2
C9H11D2N137.21851100
67163584

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/i8D/hD2
C9H10D3N138.22471100
107438204

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/i2+1,3+1,4+1,5+1,6+1,9+1
C313C6H13N141.16211100
107450606

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1/i2D,3D,4D,5D,6D
C9H8D5N140.2371100

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