Organooxygen compounds
5-Methylisatin, 95%
CAS: 608-05-9 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005721 InChI Key: VAJCSPZKMVQIAP-UHFFFAOYSA-N Synonym: 5-methylisatin,5-methylindoline-2,3-dione,5-methylindole-2,3-dione,1h-indole-2,3-dione, 5-methyl,indole-2,3-dione, 5-methyl,5-methyl-2,3-dihydro-1h-indole-2,3-dione,5-methyl-2,3-indolinedione,5-methyl-indole-2,3-dione,5-methylindole-2,3 1h-dione,5-methyl-1h-benzo d azolidine-2,3-dione PubChem CID: 11840 IUPAC Name: 5-methyl-1H-indole-2,3-dione SMILES: CC1=CC=C2NC(=O)C(=O)C2=C1
3,4-Hexanedione, 94%
CAS: 4437-51-8 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD00010237 InChI Key: KVFQMAZOBTXCAZ-UHFFFAOYSA-N Synonym: 3,4-hexanedione,bipropionyl,dipropionyl,diethyl diketone,3,4-hexane dione,unii-4m4npr5vgd,3,4-hexandione,fema no. 3168,ccris 6295,4m4npr5vgd PubChem CID: 62539 IUPAC Name: hexane-3,4-dione SMILES: CCC(=O)C(=O)CC
1-Methylisatin, 97%
CAS: 2058-74-4 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005812 InChI Key: VCYBVWFTGAZHGH-UHFFFAOYSA-N Synonym: n-methylisatin,1-methylisatin,1-methyl-1h-indole-2,3-dione,1-methylindoline-2,3-dione,1h-indole-2,3-dione, 1-methyl,1-methyl-indole-2,3-dione,1 methylisatine,n-methylindol-2,3-dione,1-methyl-2,3-dihydro-1h-indole-2,3-dione,1-methyl-2,3-indolinedione PubChem CID: 16358 SMILES: CN1C(=O)C(=O)C2=CC=CC=C12
3',4'-Dimethoxyacetophenone, 98%
CAS: 1131-62-0 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.2 MDL Number: MFCD00008737 InChI Key: IQZLUWLMQNGTIW-UHFFFAOYSA-N Synonym: 3',4'-dimethoxyacetophenone,1-3,4-dimethoxyphenyl ethanone,3,4-dimethoxyacetophenone,acetoveratrone,ethanone, 1-3,4-dimethoxyphenyl,1-3,4-dimethoxyphenyl ethan-1-one,3,4-dimethoxyphenyl methyl ketone,unii-5rv6436s8a,acetophenone, 3',4'-dimethoxy,acetophenone,4'-dimethoxy PubChem CID: 14328 ChEBI: CHEBI:86576 IUPAC Name: 1-(3,4-dimethoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1)OC)OC
1,5-Dichloroanthraquinone, 96%
CAS: 82-46-2 Molecular Formula: C14H6Cl2O2 Molecular Weight (g/mol): 277.1 MDL Number: MFCD00001190 InChI Key: MQIUMARJCOGCIM-UHFFFAOYSA-N Synonym: 1,5-dichloroanthraquinone,9,10-anthracenedione, 1,5-dichloro,1,5-dichloro-9,10-anthraquinone,1,5-dichloranthrachinon,unii-s335v6mf9e,anthraquinone, 1,5-dichloro,1,5-dichloranthrachinon czech,1, 5-dichloroanthraquinone,1,5-dichloroanthra-9,10-quinone,1,5 dichloro aq PubChem CID: 6711 IUPAC Name: 1,5-dichloroanthracene-9,10-dione SMILES: C1=CC2=C(C(=C1)Cl)C(=O)C3=C(C2=O)C(=CC=C3)Cl
2-Valerylfuran, 97%
CAS: 3194-17-0 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00053147 InChI Key: HTOZHTBIOGGHDJ-UHFFFAOYSA-N Synonym: 2-pentanoylfuran,1-furan-2-yl pentan-1-one,2-valerylfuran,butyl 2-furyl ketone,1-2-furyl pentan-1-one,1-2-furanyl-1-pentanone,unii-b3cnh05z42,1-pentanone, 1-2-furanyl,2-pentanoylfuran fhfi,2-valeroylfuran PubChem CID: 231325 IUPAC Name: 1-(furan-2-yl)pentan-1-one SMILES: CCCCC(=O)C1=CC=CO1
Butyroin, 97%
CAS: 496-77-5 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00021928 InChI Key: BVEYJWQCMOVMAR-UHFFFAOYNA-N Synonym: butyroin,5-hydroxy-4-octanone,4-octanone, 5-hydroxy,5-octanol-4-one,octan-4-ol-5-one,fema no. 2587,5-hydroxy-octan-4-one,acmc-1aijr,ksc236m9n,+/--5-hydroxy-4-octanone PubChem CID: 219794 IUPAC Name: 5-hydroxyoctan-4-one SMILES: CCCC(O)C(=O)CCC
3-Hydroxy-2-butanone, monomer + dimer, 95%
CAS: 513-86-0 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.11 MDL Number: MFCD00004521,MFCD00038696 InChI Key: ROWKJAVDOGWPAT-UHFFFAOYNA-N Synonym: acetoin,3-hydroxy-2-butanone,acetyl methyl carbinol,dimethylketol,2-butanone, 3-hydroxy,acetylmethylcarbinol,2,3-butanolone,2-hydroxy-3-butanone,1-hydroxyethyl methyl ketone,methanol, acetylmethyl PubChem CID: 179 ChEBI: CHEBI:15688 IUPAC Name: 3-hydroxybutan-2-one SMILES: CC(O)C(C)=O
5-Nitroisatin, 97%
CAS: 611-09-6 Molecular Formula: C8H4N2O4 Molecular Weight (g/mol): 192.13 MDL Number: MFCD00005720 InChI Key: UNMYHYODJHKLOC-UHFFFAOYSA-N Synonym: 5-nitroisatin,5-nitroindoline-2,3-dione,5-nitroindole-2,3-dione,1h-indole-2,3-dione, 5-nitro,indole-2,3-dione, 5-nitro,isatin, 5-nitro,n-nitroisatin,ccris 4031,2,3-dihydro-5-nitroindole-2,3-dione,5-nitro-2,3-dihydro-1h-indole-2,3-dione PubChem CID: 4669250 IUPAC Name: 5-nitro-1H-indole-2,3-dione SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=O)N2
2'-Hydroxy-5'-methylacetophenone, 98%
CAS: 1450-72-2 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00002380 InChI Key: YNPDFBFVMJNGKZ-UHFFFAOYSA-N Synonym: 2'-hydroxy-5'-methylacetophenone,1-2-hydroxy-5-methylphenyl ethanone,2-hydroxy-5-methylacetophenone,o-acetyl-p-cresol,ethanone, 1-2-hydroxy-5-methylphenyl,2-acetyl-4-methylphenol,1-2-hydroxy-5-methylphenyl ethan-1-one,1-hydroxy-2-acetyl-4-methylbenzene,1-2-hydroxy-5-methyl-phenyl-ethanone,unii-11661u1zen PubChem CID: 15068 IUPAC Name: 1-(2-hydroxy-5-methylphenyl)ethanone SMILES: CC1=CC(=C(C=C1)O)C(=O)C
2-Bromopropiophenone, 96%
CAS: 2114-00-3 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.074 MDL Number: MFCD00000145 InChI Key: WPDWOCRJBPXJFM-UHFFFAOYSA-N Synonym: 2-bromopropiophenone,1-propanone, 2-bromo-1-phenyl,alpha-bromopropiophenone,1-benzoyl-1-bromoethane,1-bromoethyl phenyl ketone,2-bromo-1-phenyl-1-propanone,propiophenone, 2-bromo,.alpha.-bromopropiophenone,2-bromo-1-phenyl-propan-1-one,2-bromo-propiophenone PubChem CID: 16452 IUPAC Name: 2-bromo-1-phenylpropan-1-one SMILES: CC(C(=O)C1=CC=CC=C1)Br
2-Benzoylthiophene, 98%
CAS: 135-00-2 Molecular Formula: C11H8OS Molecular Weight (g/mol): 188.244 MDL Number: MFCD00022495 InChI Key: DWYFUJJWTRPARQ-UHFFFAOYSA-N Synonym: 2-benzoylthiophene,phenyl thiophen-2-yl methanone,phenyl 2-thienyl ketone,methanone, phenyl-2-thienyl,ketone, phenyl 2-thienyl,phenyl 2-thienyl methanone,2-thienyl phenyl ketone,.alpha.-benzoylthiophene,phenyl-thiophen-2-yl-methanone,2-benzoyl thiophene PubChem CID: 67262 IUPAC Name: phenyl(thiophen-2-yl)methanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CS2
3-(3,4-Dimethoxybenzoyl)propionic acid, 98%
CAS: 5333-34-6 Molecular Formula: C12H13O5 Molecular Weight (g/mol): 237.23 MDL Number: MFCD00033286 InChI Key: BUAYFJKMVBIPKA-UHFFFAOYSA-M Synonym: 4-3,4-dimethoxyphenyl-4-oxobutanoic acid,4-3,4-dimethoxyphenyl-4-oxobutyric acid,3-3,4-dimethoxybenzoyl propionic acid,acmc-20amx3,3-veratroylpropionic acid,ss-3,4-dimethoxybenzoyl-propionsaure,2,3-dimethoxybenzoylpropanoic acid,3,4-dimethoxy-4-oxo-benzenebutanoic acid,benzenebutanoic acid,3,4-dimethoxy-g-oxo,4-3,4-dimethoxyphenyl-4-oxo-butanoic acid PubChem CID: 219390 IUPAC Name: 4-(3,4-dimethoxyphenyl)-4-oxobutanoic acid SMILES: COC1=CC=C(C=C1OC)C(=O)CCC([O-])=O
2-Bromo-4'-phenylacetophenone, 97%
CAS: 135-73-9 Molecular Formula: C14H11BrO Molecular Weight (g/mol): 275.145 MDL Number: MFCD00000202 InChI Key: KGHGZRVXCKCJGX-UHFFFAOYSA-N Synonym: 2-bromo-4'-phenylacetophenone,4-phenylphenacyl bromide,p-bromoacetylbiphenyl,p-phenylphenacyl bromide,bromomethyl p-biphenylyl ketone,ethanone, 1-1,1'-biphenyl-4-yl-2-bromo,2-bromo-1-4-phenylphenyl ethan-1-one,acetophenone, 2-bromo-4'-phenyl,alpha-bromo-p-phenylacetophenone,omega-bromo-4-phenylacetophenone PubChem CID: 67282 IUPAC Name: 2-bromo-1-(4-phenylphenyl)ethanone SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CBr
m-Nitroacetophenone, 98%
CAS: 121-89-1 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.15 MDL Number: MFCD00007259 InChI Key: ARKIFHPFTHVKDT-UHFFFAOYSA-N Synonym: 3'-nitroacetophenone,3-nitroacetophenone,m-nitroacetophenone,1-3-nitrophenyl ethanone,ethanone, 1-3-nitrophenyl,acetophenone, 3'-nitro,m-acetylnitrobenzene,usaf ma-1,methyl 3-nitrophenyl ketone,3-nitroacetofenon PubChem CID: 8494 IUPAC Name: 1-(3-nitrophenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)[N+](=O)[O-]