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
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Found 24 results

Search term: PMMYEEVYMWASQN (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5605


2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
C5H9NO3131.12991793579853493
389028

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m1/s1
C5H9NO3131.1299146143142
389029

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1
C5H9NO3131.129913717301
802

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)
C5H9NO3131.1299113275376113
389081

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m0/s1
C5H9NO3131.1299937200
62461

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3?,4-/m0/s1
C5H9NO3131.12994735816166
4476933

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3?,4-/m1/s1
C5H9NO3131.12991010155
24533805

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1/i2D2,4D
C5H6D3NO3134.14837700
60497990

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1/i2D2,4D
C5H6D3NO3134.14836700
60642563

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4?/m1/s1
C5H9NO3131.12992200
48060436

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1/i1D2,2D2,3D
C5H4D5NO3136.16072200
82827146

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1/i2D2,3D,4D
C5H5D4NO3135.15452500
107444686

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1/i1D2,2D2,3D,4D
C5H3D6NO3137.16681200
107445599

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1/i1D2,2D2,3D,4D,7D/hD2
C5D9NO3140.18531100
111313461

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m0/s1/i1D2,2D2,3D,4D/hD
C5H2D7NO3138.1731100
111314589

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m0/s1/i1D2,2D2,3D,4D,7D/hD2
C5D9NO3140.18531100
128919371

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1/i4+1,5+1,6+1
C313C2H915NO3134.10861100
77419968

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/p+1/t3-,4+/m1/s1
C5H10NO3132.13731100
78075972

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m1/s1/i1D2,2D2,3D
C5H4D5NO3136.16071100
12

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