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 18 results

Search term: ODHCTXKNWHHXJC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7127

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1
C5H7NO3129.114167826624254
485

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
C5H7NO3129.11416133814831
388752

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1
C5H7NO3129.11413715656
24532918

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/i1D2,2D2,3D
C5H2D5NO3134.1448121600
10607921

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/p-1
C5H6NO3128.1066735419119
4451146

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/p-1/t3-/m0/s1
C5H6NO3128.10604624800
24533136

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1/i1D2,2D2,3D
C5H2D5NO3134.14485200
49071288

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/i1D2,2D2,3D/hD2
C5D7NO3136.15713300
5404343

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/p-1/t3-/m1/s1
C5H6NO3128.10663203
8710094

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1/i1T,2T/t1?,2?,3-
C5H5T2NO3133.13022200
107563375

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1/i2D,3D/t2?,3-
C5H5D2NO3131.12632100
114724438

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1/i1+1,2+1,3+1,4+1,5+1
13C5H7NO3134.07732200
129260778

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1/i1D2,2D2,3D
C5H2D5NO3134.14481200
114394301

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1/i1T2,2T2,3T
C5H2T5NO3139.15451100
78057749

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/i1D2,2D2/hD2
C5HD6NO3135.1511100
95724872

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/p-2
C5H5NO3127.09921100

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