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 15 results

Search term: KTHDTJVBEPMMGL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7068

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)
C5H9NO3131.12991301543347
79449

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1
C5H9NO3131.129911817636173
116777

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m1/s1
C5H9NO3131.12999072538
24533303

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1/i1D3
C5H6D3NO3134.148381100
24533516

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m1/s1/i1D3,3D
C5H5D4NO3135.15457901
24533433

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/i1D3
C5H6D3NO3134.14836501
24533325

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1/i1D3,3D
C5H5D4NO3135.15454301
24533435

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/i1D3,2D3
C5H3D6NO3137.16684700
24533436

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/i1D3,2D3,3D
C5H2D7NO3138.1733200
49071826

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/i3D
C5H8DNO3132.1363300
24533434

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/i1D3,3D
C5H5D4NO3135.15453303
5300920

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/p-1/t3-/m0/s1
C5H8NO3130.121923200
5300921

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/p-1/t3-/m1/s1
C5H8NO3130.121923200
111312770

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m1/s1/i1D3
C5H6D3NO3134.14831100

Advertisement