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 6 results

Search term: HQGPKMSGXAUKHT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
71001

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H9NO3/c1-10-6(9)4-2-3-5(8)7-4/h4H,2-3H2,1H3,(H,7,8)/t4-/m0/s1
C6H9NO3143.14061209300
437643

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H9NO3/c1-10-6(9)4-2-3-5(8)7-4/h4H,2-3H2,1H3,(H,7,8)
C6H9NO3143.1406949401
341563

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H9NO3/c1-10-6(9)4-2-3-5(8)7-4/h4H,2-3H2,1H3,(H,7,8)/t4-/m1/s1
C6H9NO3143.1406726000
9768214

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H9NO3/c1-10-6(9)4-2-3-5(8)7-4/h4H,2-3H2,1H3,(H,7,8)/t4-/m0/s1/i2D,4D/t2-,4+/m1
C6H7D2NO3145.15292100
9963995

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H9NO3/c1-10-6(9)4-2-3-5(8)7-4/h4H,2-3H2,1H3,(H,7,8)/t4-/m0/s1/i2D/t2-,4-
C6H8DNO3144.14672100
95559066

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H9NO3/c1-10-6(9)4-2-3-5(8)7-4/h4H,2-3H2,1H3,(H,7,8)/p-1
C6H8NO3142.13321100

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