Organooxygen compounds
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Diethyl Acetonylmalonate 95.0+%, TCI America™
CAS: 23193-18-2 Molecular Formula: C10H16O5 Molecular Weight (g/mol): 216.233 MDL Number: MFCD00177949 InChI Key: KGZCSZOGMMZHKB-UHFFFAOYSA-N Synonym: Acetonylmalonic Acid Diethyl Ester, Diethyl 2-Oxopropylmalonate, 2-Oxopropylmalonic Acid Diethyl Ester PubChem CID: 12000252 IUPAC Name: diethyl 2-(2-oxopropyl)propanedioate SMILES: CCOC(=O)C(CC(=O)C)C(=O)OCC
| PubChem CID | 12000252 |
|---|---|
| CAS | 23193-18-2 |
| Molecular Weight (g/mol) | 216.233 |
| MDL Number | MFCD00177949 |
| SMILES | CCOC(=O)C(CC(=O)C)C(=O)OCC |
| Synonym | Acetonylmalonic Acid Diethyl Ester, Diethyl 2-Oxopropylmalonate, 2-Oxopropylmalonic Acid Diethyl Ester |
| IUPAC Name | diethyl 2-(2-oxopropyl)propanedioate |
| InChI Key | KGZCSZOGMMZHKB-UHFFFAOYSA-N |
| Molecular Formula | C10H16O5 |
2-Sulfobenzaldehyde Sodium Salt 98.0+%, TCI America™
CAS: 1008-72-6 Molecular Formula: C7H5NaO4S Molecular Weight (g/mol): 208.16 MDL Number: MFCD00007478 InChI Key: ADPUQRRLAAPXGT-UHFFFAOYSA-M Synonym: sodium 2-formylbenzenesulfonate,2-formylbenzenesulfonic acid sodium salt,sodium o-formylbenzenesulfonate,benzenesulfonic acid, 2-formyl-, sodium salt,unii-lh8xh59068,2-sulfobenzaldehyde sodium salt,sodium benzaldehyde-2-sulfonate,benzaldehyde-2-sulfonic acid sodium salt,o-formylbenzenesulfonic acid sodium salt,sodium 2-formylbenzene-1-sulfonate PubChem CID: 3794540 IUPAC Name: sodium 2-formylbenzene-1-sulfonate SMILES: [Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=O
| PubChem CID | 3794540 |
|---|---|
| CAS | 1008-72-6 |
| Molecular Weight (g/mol) | 208.16 |
| MDL Number | MFCD00007478 |
| SMILES | [Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=O |
| Synonym | sodium 2-formylbenzenesulfonate,2-formylbenzenesulfonic acid sodium salt,sodium o-formylbenzenesulfonate,benzenesulfonic acid, 2-formyl-, sodium salt,unii-lh8xh59068,2-sulfobenzaldehyde sodium salt,sodium benzaldehyde-2-sulfonate,benzaldehyde-2-sulfonic acid sodium salt,o-formylbenzenesulfonic acid sodium salt,sodium 2-formylbenzene-1-sulfonate |
| IUPAC Name | sodium 2-formylbenzene-1-sulfonate |
| InChI Key | ADPUQRRLAAPXGT-UHFFFAOYSA-M |
| Molecular Formula | C7H5NaO4S |
1,3,5-Cyclohexanetriol (cis- and trans- mixture) 95.0+%, TCI America™
CAS: 2041-15-8 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 MDL Number: MFCD00043062,MFCD00070580 InChI Key: FSDSKERRNURGGO-UHFFFAOYSA-N PubChem CID: 230351 IUPAC Name: cyclohexane-1,3,5-triol SMILES: OC1CC(O)CC(O)C1
| PubChem CID | 230351 |
|---|---|
| CAS | 2041-15-8 |
| Molecular Weight (g/mol) | 132.16 |
| MDL Number | MFCD00043062,MFCD00070580 |
| SMILES | OC1CC(O)CC(O)C1 |
| IUPAC Name | cyclohexane-1,3,5-triol |
| InChI Key | FSDSKERRNURGGO-UHFFFAOYSA-N |
| Molecular Formula | C6H12O3 |
1,3-Bis(methylthio)-2-methoxypropane 97.0+%, TCI America™
CAS: 31805-84-2 Molecular Formula: C6H14OS2 Molecular Weight (g/mol): 166.297 MDL Number: MFCD00026040 InChI Key: MOISORXUYSHXRU-UHFFFAOYSA-N Synonym: 1,3-bis methylthio-2-methoxypropane,2-methoxy-1,3-bis methylsulfanyl propane,2-methoxy-1,3-bis methylthio propane,1,3-bis-methylthio-2-methoxypropane,propane, 2-methoxy-1,3-bis methylthio,acmc-1cktt,moisorxuyshxru-uhfffaoysa,propane,2-methoxy-1,3-bis methylthio,2-methoxy-1,3-bis methylsulfanyl-propane,2-methoxy-1,3-bis methylsulfanyl propane # PubChem CID: 520544 IUPAC Name: 2-methoxy-1,3-bis(methylsulfanyl)propane SMILES: COC(CSC)CSC
| PubChem CID | 520544 |
|---|---|
| CAS | 31805-84-2 |
| Molecular Weight (g/mol) | 166.297 |
| MDL Number | MFCD00026040 |
| SMILES | COC(CSC)CSC |
| Synonym | 1,3-bis methylthio-2-methoxypropane,2-methoxy-1,3-bis methylsulfanyl propane,2-methoxy-1,3-bis methylthio propane,1,3-bis-methylthio-2-methoxypropane,propane, 2-methoxy-1,3-bis methylthio,acmc-1cktt,moisorxuyshxru-uhfffaoysa,propane,2-methoxy-1,3-bis methylthio,2-methoxy-1,3-bis methylsulfanyl-propane,2-methoxy-1,3-bis methylsulfanyl propane # |
| IUPAC Name | 2-methoxy-1,3-bis(methylsulfanyl)propane |
| InChI Key | MOISORXUYSHXRU-UHFFFAOYSA-N |
| Molecular Formula | C6H14OS2 |
3',4'-Dichloropropiophenone 98.0+%, TCI America™
CAS: 6582-42-9 Molecular Formula: C9H8Cl2O Molecular Weight (g/mol): 203.06 MDL Number: MFCD00000554 InChI Key: AJUAASWQUWIMHM-UHFFFAOYSA-N Synonym: 3',4'-dichloropropiophenone,1-3,4-dichlorophenyl propan-1-one,1-3,4-dichlorophenyl-1-propanone,1-propanone, 1-3,4-dichlorophenyl,1-propanone,1-3,4-dichlorophenyl,enamine_003892,acmc-1b5az,3,4-dichloro propiophenone,1-3,4-dichlorophenyl-1-propanone # PubChem CID: 599598 IUPAC Name: 1-(3,4-dichlorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=C(Cl)C(Cl)=C1
| PubChem CID | 599598 |
|---|---|
| CAS | 6582-42-9 |
| Molecular Weight (g/mol) | 203.06 |
| MDL Number | MFCD00000554 |
| SMILES | CC(=O)CC1=CC=C(Cl)C(Cl)=C1 |
| Synonym | 3',4'-dichloropropiophenone,1-3,4-dichlorophenyl propan-1-one,1-3,4-dichlorophenyl-1-propanone,1-propanone, 1-3,4-dichlorophenyl,1-propanone,1-3,4-dichlorophenyl,enamine_003892,acmc-1b5az,3,4-dichloro propiophenone,1-3,4-dichlorophenyl-1-propanone # |
| IUPAC Name | 1-(3,4-dichlorophenyl)propan-2-one |
| InChI Key | AJUAASWQUWIMHM-UHFFFAOYSA-N |
| Molecular Formula | C9H8Cl2O |
2-Bromo-4'-fluoroacetophenone 97.0+%, TCI America™
CAS: 403-29-2 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.037 MDL Number: MFCD00040830 InChI Key: ZJFWCELATJMDNO-UHFFFAOYSA-N Synonym: 2-bromo-4'-fluoroacetophenone,4-fluorophenacyl bromide,2-bromo-1-4-fluorophenyl ethanone,2-bromo-1-4-fluorophenyl ethan-1-one,p-fluorophenacyl bromide,2'-bromo-4-fluoroacetophenone,ethanone, 2-bromo-1-4-fluorophenyl,bromo-4-fluoroacetophenone,4-fluorophenacylbromide,2-bromo-1-4-fluoro-phenyl-ethanone PubChem CID: 96749 IUPAC Name: 2-bromo-1-(4-fluorophenyl)ethanone SMILES: C1=CC(=CC=C1C(=O)CBr)F
| PubChem CID | 96749 |
|---|---|
| CAS | 403-29-2 |
| Molecular Weight (g/mol) | 217.037 |
| MDL Number | MFCD00040830 |
| SMILES | C1=CC(=CC=C1C(=O)CBr)F |
| Synonym | 2-bromo-4'-fluoroacetophenone,4-fluorophenacyl bromide,2-bromo-1-4-fluorophenyl ethanone,2-bromo-1-4-fluorophenyl ethan-1-one,p-fluorophenacyl bromide,2'-bromo-4-fluoroacetophenone,ethanone, 2-bromo-1-4-fluorophenyl,bromo-4-fluoroacetophenone,4-fluorophenacylbromide,2-bromo-1-4-fluoro-phenyl-ethanone |
| IUPAC Name | 2-bromo-1-(4-fluorophenyl)ethanone |
| InChI Key | ZJFWCELATJMDNO-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO |
8-Chloro-1-n-octanol 97.0+%, TCI America™
CAS: 23144-52-7 Molecular Formula: C8H17ClO Molecular Weight (g/mol): 164.673 MDL Number: MFCD00040005 InChI Key: YDFAJMDFCCJZSI-UHFFFAOYSA-N Synonym: 8-chloro-1-octanol,1-octanol, 8-chloro,8-chlorooctanol,8-chloro-octan-1-ol,8-chloro-1-n-octanol,8-chlor-1-octanol,8-chlor-octan-1-ol,acmc-1cr4x PubChem CID: 90012 IUPAC Name: 8-chlorooctan-1-ol SMILES: C(CCCCCl)CCCO
| PubChem CID | 90012 |
|---|---|
| CAS | 23144-52-7 |
| Molecular Weight (g/mol) | 164.673 |
| MDL Number | MFCD00040005 |
| SMILES | C(CCCCCl)CCCO |
| Synonym | 8-chloro-1-octanol,1-octanol, 8-chloro,8-chlorooctanol,8-chloro-octan-1-ol,8-chloro-1-n-octanol,8-chlor-1-octanol,8-chlor-octan-1-ol,acmc-1cr4x |
| IUPAC Name | 8-chlorooctan-1-ol |
| InChI Key | YDFAJMDFCCJZSI-UHFFFAOYSA-N |
| Molecular Formula | C8H17ClO |
2-Methyl-5-propionylfuran 98.0+%, TCI America™
CAS: 10599-69-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00053142 InChI Key: BXLPZYAVKVFXEO-UHFFFAOYSA-N Synonym: 2-methyl-5-propionylfuran,1-5-methylfuran-2-yl propan-1-one,5-methyl-2-propionylfuran,2-methyl-5-propionyl-furan,1-5-methyl-2-furyl propan-1-one,1-propanone,1-5-methyl-2-furanyl,1-propanone, 1-5-methyl-2-furanyl,2-methyl-5-propanylfuran,furan, 2-methyl-5-propionyl,furan, 5-methyl-2-propionyl PubChem CID: 82757 IUPAC Name: 1-(5-methylfuran-2-yl)propan-1-one SMILES: CCC(=O)C1=CC=C(C)O1
| PubChem CID | 82757 |
|---|---|
| CAS | 10599-69-6 |
| Molecular Weight (g/mol) | 138.17 |
| MDL Number | MFCD00053142 |
| SMILES | CCC(=O)C1=CC=C(C)O1 |
| Synonym | 2-methyl-5-propionylfuran,1-5-methylfuran-2-yl propan-1-one,5-methyl-2-propionylfuran,2-methyl-5-propionyl-furan,1-5-methyl-2-furyl propan-1-one,1-propanone,1-5-methyl-2-furanyl,1-propanone, 1-5-methyl-2-furanyl,2-methyl-5-propanylfuran,furan, 2-methyl-5-propionyl,furan, 5-methyl-2-propionyl |
| IUPAC Name | 1-(5-methylfuran-2-yl)propan-1-one |
| InChI Key | BXLPZYAVKVFXEO-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
Methyl 2-Chloroacetoacetate 95.0+%, TCI America™
CAS: 4755-81-1 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.558 MDL Number: MFCD00008757 InChI Key: GYQRIAVRKLRQKP-UHFFFAOYSA-N PubChem CID: 107332 IUPAC Name: methyl 2-chloro-3-oxobutanoate SMILES: CC(=O)C(C(=O)OC)Cl
| PubChem CID | 107332 |
|---|---|
| CAS | 4755-81-1 |
| Molecular Weight (g/mol) | 150.558 |
| MDL Number | MFCD00008757 |
| SMILES | CC(=O)C(C(=O)OC)Cl |
| IUPAC Name | methyl 2-chloro-3-oxobutanoate |
| InChI Key | GYQRIAVRKLRQKP-UHFFFAOYSA-N |
| Molecular Formula | C5H7ClO3 |
2-Bromo-2'-methylacetophenone 96.0+%, TCI America™
CAS: 51012-65-8 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.074 MDL Number: MFCD04038955 InChI Key: XMGAXELQRATLJP-UHFFFAOYSA-N Synonym: 2-bromo-1-o-tolyl ethanone,2-bromo-1-2-methylphenyl ethan-1-one,2'-methylphenacyl bromide,2-bromo-1-o-tolylethanone,2-bromo-1-2-methylphenyl ethanone,2-methylphenacyl bromide,2-bromo-1-o-tolyl-ethanone,2-bromo-2'-methylacetophenone,ethanone, 2-bromo-1-methylphenyl,2-bromoacetyl toluene PubChem CID: 12430676 IUPAC Name: 2-bromo-1-(2-methylphenyl)ethanone SMILES: CC1=CC=CC=C1C(=O)CBr
| PubChem CID | 12430676 |
|---|---|
| CAS | 51012-65-8 |
| Molecular Weight (g/mol) | 213.074 |
| MDL Number | MFCD04038955 |
| SMILES | CC1=CC=CC=C1C(=O)CBr |
| Synonym | 2-bromo-1-o-tolyl ethanone,2-bromo-1-2-methylphenyl ethan-1-one,2'-methylphenacyl bromide,2-bromo-1-o-tolylethanone,2-bromo-1-2-methylphenyl ethanone,2-methylphenacyl bromide,2-bromo-1-o-tolyl-ethanone,2-bromo-2'-methylacetophenone,ethanone, 2-bromo-1-methylphenyl,2-bromoacetyl toluene |
| IUPAC Name | 2-bromo-1-(2-methylphenyl)ethanone |
| InChI Key | XMGAXELQRATLJP-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO |
(1R,2S)-(-)-trans-2-Phenyl-1-cyclohexanol 98.0+%, TCI America™
CAS: 98919-68-7 Molecular Formula: C12H16O Molecular Weight (g/mol): 176.259 MDL Number: MFCD00075488 InChI Key: AAIBYZBZXNWTPP-NWDGAFQWSA-N PubChem CID: 102793 IUPAC Name: (1R,2S)-2-phenylcyclohexan-1-ol SMILES: C1CCC(C(C1)C2=CC=CC=C2)O
| PubChem CID | 102793 |
|---|---|
| CAS | 98919-68-7 |
| Molecular Weight (g/mol) | 176.259 |
| MDL Number | MFCD00075488 |
| SMILES | C1CCC(C(C1)C2=CC=CC=C2)O |
| IUPAC Name | (1R,2S)-2-phenylcyclohexan-1-ol |
| InChI Key | AAIBYZBZXNWTPP-NWDGAFQWSA-N |
| Molecular Formula | C12H16O |
Chloromethyl Cyclohexyl Ether 96.0+%, TCI America™
CAS: 3587-62-0 Molecular Formula: C7H13ClO Molecular Weight (g/mol): 148.63 InChI Key: GYCLGFVWNVHUPA-UHFFFAOYSA-N PubChem CID: 11309592 IUPAC Name: chloromethoxycyclohexane SMILES: C1CCC(CC1)OCCl
| PubChem CID | 11309592 |
|---|---|
| CAS | 3587-62-0 |
| Molecular Weight (g/mol) | 148.63 |
| SMILES | C1CCC(CC1)OCCl |
| IUPAC Name | chloromethoxycyclohexane |
| InChI Key | GYCLGFVWNVHUPA-UHFFFAOYSA-N |
| Molecular Formula | C7H13ClO |
6-Bromoisatin 97.0+%, TCI America™
CAS: 6326-79-0 Molecular Formula: C8H4BrNO2 Molecular Weight (g/mol): 226.03 MDL Number: MFCD01631138 InChI Key: HVPQMLZLINVIHW-UHFFFAOYSA-N Synonym: 6-bromoisatin,6-bromoindoline-2,3-dione,6-bromo-isatin,1h-indole-2,3-dione, 6-bromo,6-bromoindole-2,3-dione,6-bromo-2,3-dihydro-1h-indole-2,3-dione,6-bromo-1h-benzo d azolidine-2,3-dione,6-bromoindolin-2,3-dione,6-bromo-2,3-indolinedione PubChem CID: 95716 IUPAC Name: 6-bromo-2,3-dihydro-1H-indole-2,3-dione SMILES: BrC1=CC=C2C(NC(=O)C2=O)=C1
| PubChem CID | 95716 |
|---|---|
| CAS | 6326-79-0 |
| Molecular Weight (g/mol) | 226.03 |
| MDL Number | MFCD01631138 |
| SMILES | BrC1=CC=C2C(NC(=O)C2=O)=C1 |
| Synonym | 6-bromoisatin,6-bromoindoline-2,3-dione,6-bromo-isatin,1h-indole-2,3-dione, 6-bromo,6-bromoindole-2,3-dione,6-bromo-2,3-dihydro-1h-indole-2,3-dione,6-bromo-1h-benzo d azolidine-2,3-dione,6-bromoindolin-2,3-dione,6-bromo-2,3-indolinedione |
| IUPAC Name | 6-bromo-2,3-dihydro-1H-indole-2,3-dione |
| InChI Key | HVPQMLZLINVIHW-UHFFFAOYSA-N |
| Molecular Formula | C8H4BrNO2 |
2,4,6-Trimethoxypyrimidine 98.0+%, TCI America™
CAS: 13106-85-9 Molecular Formula: C7H10N2O3 Molecular Weight (g/mol): 170.168 MDL Number: MFCD00829225 InChI Key: RJVAFLZWVUIBOU-UHFFFAOYSA-N Synonym: acmc-209bkb,2,4,6-trimethoxy-pyrimidine,pyrimidine,2,4,6-trimethoxy,rjvaflzwvuibou-uhfffaoysa,2,4,6-trimethoxypyrimidine PubChem CID: 726938 IUPAC Name: 2,4,6-trimethoxypyrimidine SMILES: COC1=CC(=NC(=N1)OC)OC
| PubChem CID | 726938 |
|---|---|
| CAS | 13106-85-9 |
| Molecular Weight (g/mol) | 170.168 |
| MDL Number | MFCD00829225 |
| SMILES | COC1=CC(=NC(=N1)OC)OC |
| Synonym | acmc-209bkb,2,4,6-trimethoxy-pyrimidine,pyrimidine,2,4,6-trimethoxy,rjvaflzwvuibou-uhfffaoysa,2,4,6-trimethoxypyrimidine |
| IUPAC Name | 2,4,6-trimethoxypyrimidine |
| InChI Key | RJVAFLZWVUIBOU-UHFFFAOYSA-N |
| Molecular Formula | C7H10N2O3 |
6-Methyl-1-indanone 98.0+%, TCI America™
CAS: 24623-20-9 Molecular Formula: C10H10O Molecular Weight (g/mol): 146.19 MDL Number: MFCD00275729 InChI Key: DBOXRDYLMJMQBB-UHFFFAOYSA-N Synonym: 6-methyl-1-indanone,6-methyl-2,3-dihydro-1h-inden-1-one,6-methylindan-1-one,6-methyl-indan-1-one,1h-inden-1-one, 2,3-dihydro-6-methyl,2,3-dihydro-6-methylinden-1-one,pubchem8851,acmc-209gdm,6-methyl-indane-1-one PubChem CID: 2795093 IUPAC Name: 6-methyl-2,3-dihydro-1H-inden-1-one SMILES: CC1=CC2=C(CCC2=O)C=C1
| PubChem CID | 2795093 |
|---|---|
| CAS | 24623-20-9 |
| Molecular Weight (g/mol) | 146.19 |
| MDL Number | MFCD00275729 |
| SMILES | CC1=CC2=C(CCC2=O)C=C1 |
| Synonym | 6-methyl-1-indanone,6-methyl-2,3-dihydro-1h-inden-1-one,6-methylindan-1-one,6-methyl-indan-1-one,1h-inden-1-one, 2,3-dihydro-6-methyl,2,3-dihydro-6-methylinden-1-one,pubchem8851,acmc-209gdm,6-methyl-indane-1-one |
| IUPAC Name | 6-methyl-2,3-dihydro-1H-inden-1-one |
| InChI Key | DBOXRDYLMJMQBB-UHFFFAOYSA-N |
| Molecular Formula | C10H10O |