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 8 results

Search term: HXKKHQJGJAFBHI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3
C3H9NO75.1096613633463318
388968

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/t3-/m1/s1
C3H9NO75.1097124922316
5641722

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/t3-/m0/s1
C3H9NO75.109711276716
24532131

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/i1D3,2D2,3D
C3H3D6NO81.14664500
5641721

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/p+1/t3-/m0/s1
C3H10NO76.11713300
393668

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/p+1/t3-/m1/s1
C3H10NO76.11713200
3821890

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/p+1
C3H10NO76.11712200
17588769

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/i4+1
C3H915NO76.10311100

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