Organooxygen compounds
Glyoxylic acid monohydrate, 97%
CAS: 563-96-2 Molecular Formula: C2H4O4 Molecular Weight (g/mol): 92.05 MDL Number: MFCD00149497 InChI Key: MOOYVEVEDVVKGD-UHFFFAOYSA-N Synonym: glyoxylic acid monohydrate,glyoxylic acid hydrate,2-oxoacetic acid hydrate,oxaldehydic acid hydrate,glyoxalic acid monohydrate,glyoxalate, glyoxylate hydrate,glyoxalic acid hydrate,oxoacetate monohydrate,glyoxylic acid-hydrate,oxoacetic acid hydrate PubChem CID: 15620607 IUPAC Name: oxaldehydic acid;hydrate SMILES: C(=O)C(=O)O.O
4'-Fluoro-2'-hydroxyacetophenone, 98%
CAS: 1481-27-2 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00143203 InChI Key: HLTBTUXAMVOKIH-UHFFFAOYSA-N Synonym: 4'-fluoro-2'-hydroxyacetophenone,1-4-fluoro-2-hydroxyphenyl ethanone,4-fluoro-2-hydroxyacetophenone,1-4-fluoro-2-hydroxyphenyl ethan-1-one,ethanone, 1-4-fluoro-2-hydroxyphenyl,1-4-fluoro-2-hydroxy-phenyl ethanone,1-acetyl-4-fluoro-2-hydroxybenzene,pubchem13252,acmc-1bzss,4'-fluoro-2'-hydroxy PubChem CID: 2737326 IUPAC Name: 1-(4-fluoro-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC=C(F)C=C1O
4-Nitrobenzo-18-crown-6, 99%
CAS: 53408-96-1 Molecular Formula: C16H23NO8 Molecular Weight (g/mol): 357.359 MDL Number: MFCD00143207 InChI Key: LQXOKBZWNFJJGI-UHFFFAOYSA-N Synonym: 4-nitrobenzo-18-crown-6,4'-nitrobenzo-18-crown 6-ether,nitrobenzo-18-crown-6,18-nitro-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine,20-nitro-2,5,8,11,14,17-hexaoxabicyclo 16.4.0 docosa-1 18 ,19,21-triene,4'-nitrobenzo-18-crown-6,lqxokbzwnfjjgi-uhfffaoysa,2,3-4-nitrobenzo-1,4,7,10,13,16-hexaoxacycloocta,2,3-4-nitrobenzo-1,4,7,10,13,16-hexaoxacyclooctadec-2-ene PubChem CID: 602198 IUPAC Name: 20-nitro-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene SMILES: C1COCCOCCOC2=C(C=CC(=C2)[N+](=O)[O-])OCCOCCO1
2-Acetyl-5-methylfuran, 98+%
CAS: 1193-79-9 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.139 MDL Number: MFCD00003243 InChI Key: KEFJLCGVTHRGAH-UHFFFAOYSA-N Synonym: 2-acetyl-5-methylfuran,5-methyl-2-acetylfuran,1-5-methylfuran-2-yl ethanone,1-5-methyl-2-furyl ethanone,5-methyl-2-furylmethylketone,ethanone, 1-5-methyl-2-furanyl,1-5-methyl-2-furanyl ethanone,2-methyl-5-acetylfuran,1-5-methyl-2-furyl ethan-1-one,methyl 5-methyl-2-furyl ketone PubChem CID: 14514 ChEBI: CHEBI:562752 IUPAC Name: 1-(5-methylfuran-2-yl)ethanone SMILES: CC1=CC=C(O1)C(=O)C
Methyl malonamate, 98%
CAS: 51513-29-2 Molecular Formula: C4H7NO3 Molecular Weight (g/mol): 117.10 MDL Number: MFCD00674533 InChI Key: LSNSJCKGQREPDW-UHFFFAOYSA-N Synonym: methyl malonamate,methyl malonate monoamide,methyl 2-carbamoylacetate,propanoic acid, 3-amino-3-oxo-, methyl ester,acmc-20akfl,methyl carbamoylacetate,methyl-malonate monoamide,malonamic acid methyl ester,malonamidic acid methyl ester,methyl 3-amino-3-oxo-propanoate PubChem CID: 3595299 IUPAC Name: methyl 3-amino-3-oxopropanoate SMILES: COC(=O)CC(N)=O
Trimethylpyruvic acid, ca. 60% aq. soln.
CAS: 815-17-8 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.143 MDL Number: MFCD00154352 InChI Key: IAWVHZJZHDSEOC-UHFFFAOYSA-N Synonym: 3,3-dimethyl-2-oxobutyric acid,trimethylpyruvic acid,butanoic acid, 3,3-dimethyl-2-oxo,pyruvic acid, trimethyl,glyoxylic acid, tert-butyl,unii-29cl615clh,3,3-dimethyl-2-oxo-butanoic acid,butyric acid, 3,3-dimethyl-2-oxo,tert-butylglyoxylic acid,trimethlpyruvic acid PubChem CID: 13150 IUPAC Name: 3,3-dimethyl-2-oxobutanoic acid SMILES: CC(C)(C)C(=O)C(=O)O
Indole-5-carboxaldehyde, 98%
CAS: 1196-69-6 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.161 MDL Number: MFCD02093664 InChI Key: ADZUEEUKBYCSEY-UHFFFAOYSA-N Synonym: indole-5-carboxaldehyde,5-formylindole,indole-5-carbaldehyde,1h-indole-5-carboxaldehyde,5-indolealdehyde,indole-5-aldehyde,5-formyl-1h-indole,5-indolecarboxaldehyde,indole-5-carboxaldehyde 5-formylindole,5-formyl-indole PubChem CID: 589040 IUPAC Name: 1H-indole-5-carbaldehyde SMILES: C1=CC2=C(C=CN2)C=C1C=O
Ethyl 4-hydroxycyclohexanecarboxylate, cis + trans, 97%
CAS: 17159-80-7 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.22 MDL Number: MFCD00192156,MFCD16295187 InChI Key: BZKQJSLASWRDNE-UHFFFAOYSA-N Synonym: ethyl 4-hydroxycyclohexanecarboxylate,trans-ethyl 4-hydroxycyclohexanecarboxylate,ethyl trans-4-hydroxycyclohexanecarboxylate,4-hydroxy-cyclohexanecarboxylic acid ethyl ester,ethyl 4-hydroxycyclohexane carboxylate,cis-ethyl 4-hydroxycyclohexanecarboxylate,cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester,4-hydroxycyclohexanecarboxylic acid ethyl ester,trans-4-hydroxycyclohexanecarboxylic acid ethyl ester,cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester, cis PubChem CID: 86973 IUPAC Name: ethyl 4-hydroxycyclohexane-1-carboxylate SMILES: CCOC(=O)C1CCC(O)CC1
2,2-Difluoroacetophenone, 95%
CAS: 395-01-7 Molecular Formula: C8H6F2O Molecular Weight (g/mol): 156.132 MDL Number: MFCD06246879 InChI Key: OLYKCPDTXVZOQF-UHFFFAOYSA-N Synonym: 2,2-difluoroacetophenone,alpha,alpha-difluoroacetophenone,2,2-difluoro-1-phenyl-ethanone,2,2-difluoro-1-phenylethan-1-one,a,a-difluoroacetophenone,ethanone, 2,2-difluoro-1-phenyl,difluoromethyl phenyl ketone,difluoroacetophenone,acmc-20aojw,acetophenone, 2,2-difluoro PubChem CID: 273286 IUPAC Name: 2,2-difluoro-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)C(F)F
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
(R)-(-)-4-Methylmandelic acid, ChiPros∣r, 98%, ee 97+%
CAS: 31284-89-6 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00798433,MFCD00961860 InChI Key: SFGURAWGCAPHON-UHFFFAOYNA-N Synonym: 2-hydroxy-2-4-methylphenyl acetic acid,4-methylmandelic acid,p-methyl mandelic acid,2-hydroxy-2-p-tolyl acetic acid,hydroxy 4-methylphenyl acetic acid,hydroxy-p-tolyl-acetic acid,p-methylmandelic acid,4-methylmaldelic acid,p-methyl-mandelic acid,acmc-1afsj PubChem CID: 12458823 IUPAC Name: (2R)-2-hydroxy-2-(4-methylphenyl)acetic acid SMILES: CC1=CC=C(C=C1)C(O)C(O)=O
3,5-Difluoro-4-hydroxybenzaldehyde, 97%
CAS: 118276-06-5 Molecular Formula: C7H4F2O2 Molecular Weight (g/mol): 158.104 MDL Number: MFCD06797917 InChI Key: SKOYTQILPMNZQO-UHFFFAOYSA-N Synonym: 3,5-difluoro-4-hydroxy-benzaldehyde,4-hydroxy-3,5-difluorobenzaldehyde,benzaldehyde, 3,5-difluoro-4-hydroxy,pubchem17015,acmc-1c2v9,ksc495m7b,benzaldehyde, 3,5-difluoro-4-hydroxy-9ci,s-3-hydroxy-1-hydroxymethylpropyl carbamic acid benzyl ester PubChem CID: 10192584 IUPAC Name: 3,5-difluoro-4-hydroxybenzaldehyde SMILES: C1=C(C=C(C(=C1F)O)F)C=O
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
2-Propionylfuran, 97%
CAS: 3194-15-8 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00020936 InChI Key: HCPORNAVHSWTOJ-UHFFFAOYSA-N Synonym: 2-propionylfuran,1-2-furyl propan-1-one,1-furan-2-yl propan-1-one,1-propanone, 1-2-furanyl,2-furyl ethyl ketone,ethyl 2-furyl ketone,furyl ethyl ketone,1-propanone, 1-2-furyl,ethyl furyl ketone,2-propanoylfuran PubChem CID: 76662 IUPAC Name: 1-(furan-2-yl)propan-1-one SMILES: CCC(=O)C1=CC=CO1
6-Methylpyridine-2-carboxaldehyde, 98%
CAS: 1122-72-1 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.139 MDL Number: MFCD00006291 InChI Key: AHISYUZBWDSPQL-UHFFFAOYSA-N Synonym: 6-methyl-2-pyridinecarboxaldehyde,6-methylpicolinaldehyde,2-formyl-6-methylpyridine,6-methylpyridine-2-carboxaldehyde,2-pyridinecarboxaldehyde, 6-methyl,6-methylpyridine-2-aldehyde,2-formyl-6-picoline,6-methyl-2-pyridinecarbaldehyde,6-methyl-2-picolinaldehyde,6-methylpyridyl-2-aldehyde PubChem CID: 70737 IUPAC Name: 6-methylpyridine-2-carbaldehyde SMILES: CC1=CC=CC(=N1)C=O