Organooxygen compounds
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3-Acetylbenzoic Acid 97.0+%, TCI America™
CAS: 586-42-5 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00045847 InChI Key: CHZPJUSFUDUEMZ-UHFFFAOYSA-N Synonym: m-acetylbenzoic acid,benzoic acid, 3-acetyl,3-acetylbenzoicacid,3-acetophenonecarboxylic acid,acetophenone-3-carboxylic acid,3-acetyl benzoic acid,3-acetyl-benzoic acid,hypnone-m-carboxylic acid,3-1-oxoethyl benzoic acid,3-acetylbenzoic acid PubChem CID: 220324 IUPAC Name: 3-acetylbenzoic acid SMILES: CC(=O)C1=CC(=CC=C1)C(=O)O
| PubChem CID | 220324 |
|---|---|
| CAS | 586-42-5 |
| Molecular Weight (g/mol) | 164.16 |
| MDL Number | MFCD00045847 |
| SMILES | CC(=O)C1=CC(=CC=C1)C(=O)O |
| Synonym | m-acetylbenzoic acid,benzoic acid, 3-acetyl,3-acetylbenzoicacid,3-acetophenonecarboxylic acid,acetophenone-3-carboxylic acid,3-acetyl benzoic acid,3-acetyl-benzoic acid,hypnone-m-carboxylic acid,3-1-oxoethyl benzoic acid,3-acetylbenzoic acid |
| IUPAC Name | 3-acetylbenzoic acid |
| InChI Key | CHZPJUSFUDUEMZ-UHFFFAOYSA-N |
| Molecular Formula | C9H8O3 |
3-Chloro-1-propanol 98.0+%, TCI America™
CAS: 627-30-5 Molecular Formula: C3H7ClO Molecular Weight (g/mol): 94.538 MDL Number: MFCD00002943 InChI Key: LAMUXTNQCICZQX-UHFFFAOYSA-N Synonym: 3-chloro-1-propanol,3-chloropropanol,1-propanol, 3-chloro,1-chloro-3-hydroxypropane,trimethylene chlorohydrin,3-chloro-l-propanol,3-chlorpropan-1-ol,3-choro-1-propanol,1-chloro-3-propanol,3-chloropropanol-1 PubChem CID: 12313 IUPAC Name: 3-chloropropan-1-ol SMILES: C(CO)CCl
| PubChem CID | 12313 |
|---|---|
| CAS | 627-30-5 |
| Molecular Weight (g/mol) | 94.538 |
| MDL Number | MFCD00002943 |
| SMILES | C(CO)CCl |
| Synonym | 3-chloro-1-propanol,3-chloropropanol,1-propanol, 3-chloro,1-chloro-3-hydroxypropane,trimethylene chlorohydrin,3-chloro-l-propanol,3-chlorpropan-1-ol,3-choro-1-propanol,1-chloro-3-propanol,3-chloropropanol-1 |
| IUPAC Name | 3-chloropropan-1-ol |
| InChI Key | LAMUXTNQCICZQX-UHFFFAOYSA-N |
| Molecular Formula | C3H7ClO |
Propionaldehyde Diethyl Acetal 98.0+%, TCI America™
CAS: 4744-08-5 Molecular Formula: C7H16O2 Molecular Weight (g/mol): 132.20 MDL Number: MFCD00009245 InChI Key: MBNMGGKBGCIEGF-UHFFFAOYSA-N Synonym: propionaldehyde diethyl acetal,propane, 1,1-diethoxy,propanaldiethylacetal,propionaldehyde, diethyl acetal,diethyl propional,propanal diethyl acetal,propionaldehyde diethylacetal,propane,1-diethoxy,propioaldehyde diethylacetal,propioaldehyde diethyl acetal PubChem CID: 20858 IUPAC Name: 1,1-diethoxypropane SMILES: CCC(OCC)OCC
| PubChem CID | 20858 |
|---|---|
| CAS | 4744-08-5 |
| Molecular Weight (g/mol) | 132.20 |
| MDL Number | MFCD00009245 |
| SMILES | CCC(OCC)OCC |
| Synonym | propionaldehyde diethyl acetal,propane, 1,1-diethoxy,propanaldiethylacetal,propionaldehyde, diethyl acetal,diethyl propional,propanal diethyl acetal,propionaldehyde diethylacetal,propane,1-diethoxy,propioaldehyde diethylacetal,propioaldehyde diethyl acetal |
| IUPAC Name | 1,1-diethoxypropane |
| InChI Key | MBNMGGKBGCIEGF-UHFFFAOYSA-N |
| Molecular Formula | C7H16O2 |
1,1,1-Trifluoro-2-(trifluoromethyl)-4-penten-2-ol 98.0+%, TCI America™
CAS: 646-97-9 Molecular Formula: C6H6F6O Molecular Weight (g/mol): 208.10 MDL Number: MFCD03092986 InChI Key: VHSCQANAKTXZTG-UHFFFAOYSA-N PubChem CID: 328870 IUPAC Name: 1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol SMILES: OC(CC=C)(C(F)(F)F)C(F)(F)F
| PubChem CID | 328870 |
|---|---|
| CAS | 646-97-9 |
| Molecular Weight (g/mol) | 208.10 |
| MDL Number | MFCD03092986 |
| SMILES | OC(CC=C)(C(F)(F)F)C(F)(F)F |
| IUPAC Name | 1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol |
| InChI Key | VHSCQANAKTXZTG-UHFFFAOYSA-N |
| Molecular Formula | C6H6F6O |
2-Acetyl-4-methylpyridine 98.0+%, TCI America™
CAS: 59576-26-0 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.166 MDL Number: MFCD01863638 InChI Key: HRVQMQWVGKYDCF-UHFFFAOYSA-N Synonym: 2-Acetyl-4-picoline PubChem CID: 564760 IUPAC Name: 1-(4-methylpyridin-2-yl)ethanone SMILES: CC1=CC(=NC=C1)C(=O)C
| PubChem CID | 564760 |
|---|---|
| CAS | 59576-26-0 |
| Molecular Weight (g/mol) | 135.166 |
| MDL Number | MFCD01863638 |
| SMILES | CC1=CC(=NC=C1)C(=O)C |
| Synonym | 2-Acetyl-4-picoline |
| IUPAC Name | 1-(4-methylpyridin-2-yl)ethanone |
| InChI Key | HRVQMQWVGKYDCF-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO |
6-Bromo-2-naphthaldehyde 98.0+%, TCI America™
CAS: 170737-46-9 Molecular Formula: C11H7BrO Molecular Weight (g/mol): 235.08 MDL Number: MFCD09842469 InChI Key: DLLDUYJRQNTEOR-UHFFFAOYSA-N PubChem CID: 13477029 IUPAC Name: 6-bromonaphthalene-2-carbaldehyde SMILES: C1=CC2=C(C=CC(=C2)Br)C=C1C=O
| PubChem CID | 13477029 |
|---|---|
| CAS | 170737-46-9 |
| Molecular Weight (g/mol) | 235.08 |
| MDL Number | MFCD09842469 |
| SMILES | C1=CC2=C(C=CC(=C2)Br)C=C1C=O |
| IUPAC Name | 6-bromonaphthalene-2-carbaldehyde |
| InChI Key | DLLDUYJRQNTEOR-UHFFFAOYSA-N |
| Molecular Formula | C11H7BrO |
2-Aminonicotinaldehyde 97.0+%, TCI America™
CAS: 7521-41-7 Molecular Formula: C6H6N2O Molecular Weight (g/mol): 122.127 InChI Key: NXMFJCRMSDRXLD-UHFFFAOYSA-N Synonym: 2-aminonicotinaldehyde,2-amino-3-pyridinecarboxaldehyde,2-amino-3-formylpyridine,3-pyridinecarboxaldehyde, 2-amino,2-amino-pyridine-3-carbaldehyde,2-aminopyridine-3-carboxaldehyde,2-amino-3-pyridine carboxaldehyde,2-amino-pyridin-3-carbaldehyde,pubchem1262,2-amino nicotinaldehyde PubChem CID: 737633 IUPAC Name: 2-aminopyridine-3-carbaldehyde SMILES: C1=CC(=C(N=C1)N)C=O
| PubChem CID | 737633 |
|---|---|
| CAS | 7521-41-7 |
| Molecular Weight (g/mol) | 122.127 |
| SMILES | C1=CC(=C(N=C1)N)C=O |
| Synonym | 2-aminonicotinaldehyde,2-amino-3-pyridinecarboxaldehyde,2-amino-3-formylpyridine,3-pyridinecarboxaldehyde, 2-amino,2-amino-pyridine-3-carbaldehyde,2-aminopyridine-3-carboxaldehyde,2-amino-3-pyridine carboxaldehyde,2-amino-pyridin-3-carbaldehyde,pubchem1262,2-amino nicotinaldehyde |
| IUPAC Name | 2-aminopyridine-3-carbaldehyde |
| InChI Key | NXMFJCRMSDRXLD-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O |
2-Propoxyethylamine 97.0+%, TCI America™
CAS: 42185-03-5 Molecular Formula: C5H13NO Molecular Weight (g/mol): 103.165 MDL Number: MFCD00047955 InChI Key: HMWXCSCBUXKXSA-UHFFFAOYSA-N Synonym: 2-Aminoethyl Propyl Ether, O-Propylethanolamine PubChem CID: 111878 IUPAC Name: 2-propoxyethanamine SMILES: CCCOCCN
| PubChem CID | 111878 |
|---|---|
| CAS | 42185-03-5 |
| Molecular Weight (g/mol) | 103.165 |
| MDL Number | MFCD00047955 |
| SMILES | CCCOCCN |
| Synonym | 2-Aminoethyl Propyl Ether, O-Propylethanolamine |
| IUPAC Name | 2-propoxyethanamine |
| InChI Key | HMWXCSCBUXKXSA-UHFFFAOYSA-N |
| Molecular Formula | C5H13NO |
2-Acetyl-6-bromopyridine 98.0+%, TCI America™
CAS: 49669-13-8 Molecular Formula: C7H6BrNO Molecular Weight (g/mol): 200.035 MDL Number: MFCD00272200 InChI Key: RUJTWTUYVOEEFW-UHFFFAOYSA-N Synonym: 2-acetyl-6-bromopyridine,2-bromo-6-acetylpyridine,1-6-bromopyridin-2-yl ethanone,1-6-bromopyridin-2-yl ethan-1-one,1-6-bromo-2-pyridinyl-1-ethanone,ethanone, 1-6-bromo-2-pyridinyl,bromopyridinylethanone,pubchem13351,acmc-1ap21,ksc490s1f PubChem CID: 11298578 IUPAC Name: 1-(6-bromopyridin-2-yl)ethanone SMILES: CC(=O)C1=NC(=CC=C1)Br
| PubChem CID | 11298578 |
|---|---|
| CAS | 49669-13-8 |
| Molecular Weight (g/mol) | 200.035 |
| MDL Number | MFCD00272200 |
| SMILES | CC(=O)C1=NC(=CC=C1)Br |
| Synonym | 2-acetyl-6-bromopyridine,2-bromo-6-acetylpyridine,1-6-bromopyridin-2-yl ethanone,1-6-bromopyridin-2-yl ethan-1-one,1-6-bromo-2-pyridinyl-1-ethanone,ethanone, 1-6-bromo-2-pyridinyl,bromopyridinylethanone,pubchem13351,acmc-1ap21,ksc490s1f |
| IUPAC Name | 1-(6-bromopyridin-2-yl)ethanone |
| InChI Key | RUJTWTUYVOEEFW-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO |
(S)-(+)-3-Methyl-1-pentanol 98.0+%, TCI America™
CAS: 42072-39-9 Molecular Formula: C6H14O Molecular Weight (g/mol): 102.18 MDL Number: MFCD00135167 InChI Key: IWTBVKIGCDZRPL-UHFFFAOYNA-N PubChem CID: 641003 IUPAC Name: 3-methylpentan-1-ol SMILES: CCC(C)CCO
| PubChem CID | 641003 |
|---|---|
| CAS | 42072-39-9 |
| Molecular Weight (g/mol) | 102.18 |
| MDL Number | MFCD00135167 |
| SMILES | CCC(C)CCO |
| IUPAC Name | 3-methylpentan-1-ol |
| InChI Key | IWTBVKIGCDZRPL-UHFFFAOYNA-N |
| Molecular Formula | C6H14O |
D-Pinitol 98.0+%, TCI America™
CAS: 10284-63-6 Molecular Formula: C7H14O6 Molecular Weight (g/mol): 194.18 MDL Number: MFCD00216659 InChI Key: DSCFFEYYQKSRSV-FEPQRWDDSA-N Synonym: d-pinitol,pinitol,3-o-methyl-d-chiro-inositol,d-+-pinitol,inzitol,pinit,+-pinitol,methylinositol,sennitol,d-ononitol PubChem CID: 164619 IUPAC Name: (1R,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol SMILES: COC1[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H]1O
| PubChem CID | 164619 |
|---|---|
| CAS | 10284-63-6 |
| Molecular Weight (g/mol) | 194.18 |
| MDL Number | MFCD00216659 |
| SMILES | COC1[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H]1O |
| Synonym | d-pinitol,pinitol,3-o-methyl-d-chiro-inositol,d-+-pinitol,inzitol,pinit,+-pinitol,methylinositol,sennitol,d-ononitol |
| IUPAC Name | (1R,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol |
| InChI Key | DSCFFEYYQKSRSV-FEPQRWDDSA-N |
| Molecular Formula | C7H14O6 |
4'-Bromo-2'-fluoroacetophenone 98.0+%, TCI America™
CAS: 625446-22-2 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.037 MDL Number: MFCD03411551 InChI Key: ASKFCSCYGAFWAB-UHFFFAOYSA-N Synonym: 1-4-bromo-2-fluorophenyl ethanone,4-bromo-2-fluoroacetophenone,4'-bromo-2'-fluoroacetophenone,1-4-bromo-2-fluorophenyl ethan-1-one,1-acetyl-4-bromo-2-fluorobenzene,ethanone, 1-4-bromo-2-fluorophenyl,2-fluoro-4-bromoacetophenone,1-4-bromo-2-fluoro-phenyl-ethanone,acmc-209n4s,ksc352o4j PubChem CID: 21938581 IUPAC Name: 1-(4-bromo-2-fluorophenyl)ethanone SMILES: CC(=O)C1=C(C=C(C=C1)Br)F
| PubChem CID | 21938581 |
|---|---|
| CAS | 625446-22-2 |
| Molecular Weight (g/mol) | 217.037 |
| MDL Number | MFCD03411551 |
| SMILES | CC(=O)C1=C(C=C(C=C1)Br)F |
| Synonym | 1-4-bromo-2-fluorophenyl ethanone,4-bromo-2-fluoroacetophenone,4'-bromo-2'-fluoroacetophenone,1-4-bromo-2-fluorophenyl ethan-1-one,1-acetyl-4-bromo-2-fluorobenzene,ethanone, 1-4-bromo-2-fluorophenyl,2-fluoro-4-bromoacetophenone,1-4-bromo-2-fluoro-phenyl-ethanone,acmc-209n4s,ksc352o4j |
| IUPAC Name | 1-(4-bromo-2-fluorophenyl)ethanone |
| InChI Key | ASKFCSCYGAFWAB-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO |
4-Bromoisatin 98.0+%, TCI America™
CAS: 20780-72-7 Molecular Formula: C8H4BrNO2 Molecular Weight (g/mol): 226.029 InChI Key: ITRAKBJPMLKWIW-UHFFFAOYSA-N Synonym: 4-Bromoindole-2,3-dione, 4-Bromo-2,3-indolinedione PubChem CID: 4500012 IUPAC Name: 4-bromo-1H-indole-2,3-dione SMILES: C1=CC2=C(C(=C1)Br)C(=O)C(=O)N2
| PubChem CID | 4500012 |
|---|---|
| CAS | 20780-72-7 |
| Molecular Weight (g/mol) | 226.029 |
| SMILES | C1=CC2=C(C(=C1)Br)C(=O)C(=O)N2 |
| Synonym | 4-Bromoindole-2,3-dione, 4-Bromo-2,3-indolinedione |
| IUPAC Name | 4-bromo-1H-indole-2,3-dione |
| InChI Key | ITRAKBJPMLKWIW-UHFFFAOYSA-N |
| Molecular Formula | C8H4BrNO2 |
1,5,6,7-Tetrahydro-4H-indol-4-one 99.0+%, TCI America™
CAS: 13754-86-4 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.166 MDL Number: MFCD00075438 InChI Key: KASJZXHXXNEULX-UHFFFAOYSA-N Synonym: 4-Oxo-4,5,6,7-tetrahydroindole PubChem CID: 280229 IUPAC Name: 1,5,6,7-tetrahydroindol-4-one SMILES: C1CC2=C(C=CN2)C(=O)C1
| PubChem CID | 280229 |
|---|---|
| CAS | 13754-86-4 |
| Molecular Weight (g/mol) | 135.166 |
| MDL Number | MFCD00075438 |
| SMILES | C1CC2=C(C=CN2)C(=O)C1 |
| Synonym | 4-Oxo-4,5,6,7-tetrahydroindole |
| IUPAC Name | 1,5,6,7-tetrahydroindol-4-one |
| InChI Key | KASJZXHXXNEULX-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO |
3,4-Dihydro-2-methoxy-2H-pyran 97.0+%, TCI America™
CAS: 4454-05-1 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00006560 InChI Key: XCYWUZHUTJDTGS-UHFFFAOYNA-N Synonym: 3,4-dihydro-2-methoxy-2h-pyran,2h-pyran, 3,4-dihydro-2-methoxy,2,3-dihydro-2-methoxy 4h pyran,2-methoxy-2,3-dihydro-4h-pyran,acmc-1ahgh,dsstox_cid_7570,dsstox_rid_78508,dsstox_gsid_27570,ksc496o2j PubChem CID: 91538 IUPAC Name: 2-methoxy-3,4-dihydro-2H-pyran SMILES: COC1CCC=CO1
| PubChem CID | 91538 |
|---|---|
| CAS | 4454-05-1 |
| Molecular Weight (g/mol) | 114.14 |
| MDL Number | MFCD00006560 |
| SMILES | COC1CCC=CO1 |
| Synonym | 3,4-dihydro-2-methoxy-2h-pyran,2h-pyran, 3,4-dihydro-2-methoxy,2,3-dihydro-2-methoxy 4h pyran,2-methoxy-2,3-dihydro-4h-pyran,acmc-1ahgh,dsstox_cid_7570,dsstox_rid_78508,dsstox_gsid_27570,ksc496o2j |
| IUPAC Name | 2-methoxy-3,4-dihydro-2H-pyran |
| InChI Key | XCYWUZHUTJDTGS-UHFFFAOYNA-N |
| Molecular Formula | C6H10O2 |