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 45 results

Search term: AGPKZVBTJJNPAG (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
6067


2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
C6H13NO2131.17291655080713312
769


0 of 2 defined stereocentres - 0/2 defined
InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
C6H13NO2131.172913368684451078
85019

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m0/s1
C6H13NO2131.17291211102023
89698

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m1/s1
C6H13NO2131.17291131571728
69017

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m1/s1
C6H13NO2131.17291081173659
8853625

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/i7+1
C6H1315NO2132.1663273200
9226848

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4?,5-/m1/s1
C6H13NO2131.1729172400
4508558

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4?,5-/m0/s1
C6H13NO2131.1729161800
49071392

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/i6+1
C513CH13NO2132.16567600
60498027

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/i1D3,2D3,3D2,4D,5D
C6H3D10NO2141.23457700
103848109

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/i1D3,2D3,3D2,4D,5D
C6H3D10NO2141.23457700
8572320

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5?/m0/s1
C6H13NO2131.17297600
24532130

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/i5D
C6H12DNO2132.17916508
26396315

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5?/m1/s1
C6H13NO2131.17295500
17346839

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/i1+2,2+2,3+2,4+2,5+2,6+2
14C6H13NO2143.12825500
98645260

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1
13C6H13NO2137.12884400
8488617

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/i7+1
C6H1315NO2132.16634300
4574322

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/p+1/t4-,5-/m0/s1
C6H14NO2132.18033300
4574323

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/p-1/t4-,5-/m0/s1
C6H12NO2130.16553300
115011075

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/i1D3,2D3,3D2,4D,5D,7+1
C6H3D1015NO2142.22793300
123

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