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 29 results

Search term: DCXYFEDJOCDNAF (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
6031


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
C4H8N2O3132.1179157533099201966
231


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)
C4H8N2O3132.1179112272598581589
388679

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1
C4H8N2O3132.11791101504531
17341024

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1/i5+1,6+1
C4H815N2O3134.1047141000
17345085

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1
13C4H815N2O3138.07546500
17345224

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1/i1D2,2D,5+1,6+1/hD5
C4D815N2O3142.1545700
17345223

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1/i1+1D2,2+1D,3+1,4+1,5+1,6+1/hD5
13C4D815N2O3146.12474500
4574300

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/p-1/t2-/m1/s1
C4H7N2O3131.11053300
4574298

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/p-1
C4H7N2O3131.11053300
49071555

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1/i1D2,2D/hD5
C4D8N2O3140.16723300
49072457

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1/i4+1
C313CH8N2O3133.11063300
68024463

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1/i2D
C4H7DN2O3133.12412200
72387879

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/i5+1,6+1
C4H815N2O3134.10472200
48058684

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1/i1D2,2D
C4H5D3N2O3135.13642200
48244763

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1/i1+1D2,2+1D,3+1,4+1,5+1,6+1
13C4H5D315N2O3141.09382400
4574299

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/p+1/t2-/m1/s1
C4H9N2O3133.12532200
4574297

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/p+1
C4H9N2O3133.12532200
4574301

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/p+1/t2-/m0/s1
C4H9N2O3133.12532200
4574302

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/p-1/t2-/m0/s1
C4H7N2O3131.11052200
110406409

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/i1T2,2T
C4H5T3N2O3138.14221100
12

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