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 26 results

Search term: QWCKQJZIFLGMSD (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
6405


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
C4H9NO2103.119816849718429618
72524

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
C4H9NO2103.1198152184052
388757

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
C4H9NO2103.119814514205
10140094

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1/i1D3
C4H6D3NO2106.1382232200
24532005

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/i1D3,2D2,3D
C4H3D6NO2109.1567121800
24532004

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1/i2D2
C4H7D2NO2105.13218800
28562394

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/i1D3
C4H6D3NO2106.13828600
10637807

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/p-1
C4H8NO2102.1124592314
5256712

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/p-1/t3-/m0/s1
C4H8NO2102.11245600
24533014

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1/i1D3,2D2,3D
C4H3D6NO2109.15675400
24533590

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1/i1D3,2D2,3D
C4H3D6NO2109.15675500
49071538

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1/i4+1
C313CH9NO2104.11244300
8948254

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/i1D3,2D2
C4H4D5NO2108.15063200
8924475

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/i1+1,2+1
C213C2H9NO2105.10512100
58780588

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/i2D2,3D
C4H6D3NO2106.13822300
107444291

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1/i1D3,2D2
C4H4D5NO2108.15061400
107444295

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1/i1D3,3D
C4H5D4NO2107.14441100
111312779

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1/i1D3,3D
C4H5D4NO2107.14441100
111312780

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1/i3D
C4H8DNO2104.12591100
111312781

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1/i1D3,2D2
C4H4D5NO2108.15061100
12

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