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 2568 results

Search term: C9H13N3O4 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
13117

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1
C9H13N3O4227.217214017882575143
616981
InChI=1/C9H13N3O4/c1-4-16-8(13)5-11-7(3)9(12(14)15)6(2)10-11/h4-5H2,1-3H3
C9H13N3O4227.2172587500
108911

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-6(14)3-5(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1
C9H13N3O4227.21725472212
1550561
InChI=1/C9H13N3O4/c1-6-9(12(15)16)7(2)11(10-6)5-3-4-8(13)14/h3-5H2,1-2H3,(H,13,14)
C9H13N3O4227.2172527500
140145

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m1/s1
C9H13N3O4227.2172476100
617

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)
C9H13N3O4227.21724529100
574423
InChI=1/C9H13N3O4/c1-3-15-8(13)5-6(10)12-7(11-5)9(14)16-4-2/h3-4,10H2,1-2H3,(H,11,12)
C9H13N3O4227.2172414700
28467194
InChI=1/C9H13N3O4/c1-9(2,3)16-8(15)11-5-4-10-12-6(5)7(13)14/h4H,1-3H3,(H,10,12)(H,11,15)(H,13,14)
C9H13N3O4227.2172414700
2541405
InChI=1/C9H13N3O4/c1-6-9(12(14)15)7(2)11(10-6)5-4-8(13)16-3/h4-5H2,1-3H3
C9H13N3O4227.2172395500
498296
InChI=1/C9H13N3O4/c1-3-15-8(13)6-5-11-12(7(6)10)9(14)16-4-2/h5H,3-4,10H2,1-2H3
C9H13N3O4227.2172354300
2067760
InChI=1/C9H13N3O4/c1-2-3-4-16-7(13)5-6-8(14)10-9(15)12-11-6/h2-5H2,1H3,(H2,10,12,14,15)
C9H13N3O4227.21722313900
12538887

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H13N3O4/c1-3-8(9(13)16-4-2)11-6-7(5-10-11)12(14)15/h5-6,8H,3-4H2,1-2H3
C9H13N3O4227.2172314500
12539729

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H13N3O4/c1-5(9(13)14)4-11-7(3)8(12(15)16)6(2)10-11/h5H,4H2,1-3H3,(H,13,14)
C9H13N3O4227.2172315000
29339925
InChI=1/C9H13N3O4/c1-6-7(12(14)15)5-11(10-6)8(13)16-9(2,3)4/h5H,1-4H3
C9H13N3O4227.2172313600
34500387

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H13N3O4/c13-5-6-3-10-4-8(16-6)12-2-1-7(14)11-9(12)15/h1-2,6,8,10,13H,3-5H2,(H,11,14,15)/t6-,8+/m0/s1
C9H13N3O4227.2172303200
12539807

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H13N3O4/c1-6(9(13)16-3)5-11-7(2)4-8(10-11)12(14)15/h4,6H,5H2,1-3H3
C9H13N3O4227.2172294500
28608007
InChI=1/C9H13N3O4/c1-4-16-9(13)7-5-8(12(14)15)10-11(7)6(2)3/h5-6H,4H2,1-3H3
C9H13N3O4227.2172283200
399458

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8-/m1/s1
C9H13N3O4227.2172283200
565482
InChI=1/C9H13N3O4/c1-2-5-16-7(13)4-3-6-8(14)10-9(15)12-11-6/h2-5H2,1H3,(H2,10,12,14,15)
C9H13N3O4227.2172273300
3924470

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H13N3O4/c13-7(12-1-3-16-4-2-12)5-6-8(14)11-9(15)10-6/h6H,1-5H2,(H2,10,11,14,15)
C9H13N3O4227.2172274300
12345

Advertisement