Organooxygen compounds
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3-(4-Fluorobenzoyl)propionic acid, 97%
CAS: 366-77-8 Molecular Formula: C10H9FO3 Molecular Weight (g/mol): 196.177 MDL Number: MFCD00002793 InChI Key: WUYWHIAAQYQKPP-UHFFFAOYSA-N Synonym: 3-4-fluorobenzoyl propionic acid,4-4-fluorophenyl-4-oxobutanoic acid,3-4-fluorobenzoyl propanoic acid,haloperidol metabolite iii,unii-v2z6n6jc9z,beta-4-fluorobenzoyl propionic acid,v2z6n6jc9z,3-p-fluorobenzoyl propionic acid,4-4-fluoro-phenyl-4-oxo-butyric acid PubChem CID: 101359 IUPAC Name: 4-(4-fluorophenyl)-4-oxobutanoic acid SMILES: C1=CC(=CC=C1C(=O)CCC(=O)O)F
| PubChem CID | 101359 |
|---|---|
| CAS | 366-77-8 |
| Molecular Weight (g/mol) | 196.177 |
| MDL Number | MFCD00002793 |
| SMILES | C1=CC(=CC=C1C(=O)CCC(=O)O)F |
| Synonym | 3-4-fluorobenzoyl propionic acid,4-4-fluorophenyl-4-oxobutanoic acid,3-4-fluorobenzoyl propanoic acid,haloperidol metabolite iii,unii-v2z6n6jc9z,beta-4-fluorobenzoyl propionic acid,v2z6n6jc9z,3-p-fluorobenzoyl propionic acid,4-4-fluoro-phenyl-4-oxo-butyric acid |
| IUPAC Name | 4-(4-fluorophenyl)-4-oxobutanoic acid |
| InChI Key | WUYWHIAAQYQKPP-UHFFFAOYSA-N |
| Molecular Formula | C10H9FO3 |
6-Methoxyindole, 98+%
CAS: 3189-13-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD00022780 InChI Key: QJRWYBIKLXNYLF-UHFFFAOYSA-N Synonym: 6-methoxyindole,1h-indole, 6-methoxy,indole, 6-methoxy,1h-indol-6-yl methyl ether,6-methoxy indole,pubchem1701,acmc-209hph,opera_id_1903,6-methyloxy-1h-indole PubChem CID: 76659 IUPAC Name: 6-methoxy-1H-indole SMILES: COC1=CC=C2C=CNC2=C1
| PubChem CID | 76659 |
|---|---|
| CAS | 3189-13-7 |
| Molecular Weight (g/mol) | 147.18 |
| MDL Number | MFCD00022780 |
| SMILES | COC1=CC=C2C=CNC2=C1 |
| Synonym | 6-methoxyindole,1h-indole, 6-methoxy,indole, 6-methoxy,1h-indol-6-yl methyl ether,6-methoxy indole,pubchem1701,acmc-209hph,opera_id_1903,6-methyloxy-1h-indole |
| IUPAC Name | 6-methoxy-1H-indole |
| InChI Key | QJRWYBIKLXNYLF-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
Chroman-8-carboxylic acid, 97%, Thermo Scientific™
CAS: 31457-16-6 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD12198122 InChI Key: LOFOWPRKKPHPDW-UHFFFAOYSA-N Synonym: chroman-8-carboxylic acid,3,4-dihydro-2h-1-benzopyran-8-carboxylic acid,chromane-8-carboxylic acid PubChem CID: 12701138 IUPAC Name: 3,4-dihydro-2H-chromene-8-carboxylic acid SMILES: C1CC2=CC=CC(=C2OC1)C(=O)O
| PubChem CID | 12701138 |
|---|---|
| CAS | 31457-16-6 |
| Molecular Weight (g/mol) | 178.187 |
| MDL Number | MFCD12198122 |
| SMILES | C1CC2=CC=CC(=C2OC1)C(=O)O |
| Synonym | chroman-8-carboxylic acid,3,4-dihydro-2h-1-benzopyran-8-carboxylic acid,chromane-8-carboxylic acid |
| IUPAC Name | 3,4-dihydro-2H-chromene-8-carboxylic acid |
| InChI Key | LOFOWPRKKPHPDW-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
3,4-Dihydro-2H-1,5-benzodioxepin-7-carboxaldehyde, 95%
CAS: 67869-90-3 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD01893356 InChI Key: LCSVYSVGXQQHSI-UHFFFAOYSA-N PubChem CID: 2776388 IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde SMILES: C1COC2=C(C=C(C=C2)C=O)OC1
| PubChem CID | 2776388 |
|---|---|
| CAS | 67869-90-3 |
| Molecular Weight (g/mol) | 178.187 |
| MDL Number | MFCD01893356 |
| SMILES | C1COC2=C(C=C(C=C2)C=O)OC1 |
| IUPAC Name | 3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde |
| InChI Key | LCSVYSVGXQQHSI-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
Triethyl orthoacetate, 97%
CAS: 78-39-7 Molecular Formula: C8H18O3 Molecular Weight (g/mol): 162.23 MDL Number: MFCD00009223 InChI Key: NDQXKKFRNOPRDW-UHFFFAOYSA-N Synonym: triethyl orthoacetate,ethyl orthoacetate,ethane, 1,1,1-triethoxy,orthoacetic acid, triethyl ester,orthoacetic acid triethyl ester,triethoxyethane,triethoxy ethane,triethy orthoacetate,triethyl ortho-aceate,1,1-triethoxyethane PubChem CID: 66221 IUPAC Name: 1,1,1-triethoxyethane SMILES: CCOC(C)(OCC)OCC
| PubChem CID | 66221 |
|---|---|
| CAS | 78-39-7 |
| Molecular Weight (g/mol) | 162.23 |
| MDL Number | MFCD00009223 |
| SMILES | CCOC(C)(OCC)OCC |
| Synonym | triethyl orthoacetate,ethyl orthoacetate,ethane, 1,1,1-triethoxy,orthoacetic acid, triethyl ester,orthoacetic acid triethyl ester,triethoxyethane,triethoxy ethane,triethy orthoacetate,triethyl ortho-aceate,1,1-triethoxyethane |
| IUPAC Name | 1,1,1-triethoxyethane |
| InChI Key | NDQXKKFRNOPRDW-UHFFFAOYSA-N |
| Molecular Formula | C8H18O3 |
Ascorbic Acid, Crystalline Powder, 20 to 200 Mesh, U.S.P. - F.C.C., J.T. Baker™
CAS: 50-81-7 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.12 MDL Number: MFCD00064328 InChI Key: CIWBSHSKHKDKBQ-DOMZIZNONA-N Synonym: l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin PubChem CID: 54670067 ChEBI: CHEBI:29073 IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one SMILES: OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
| PubChem CID | 54670067 |
|---|---|
| CAS | 50-81-7 |
| Molecular Weight (g/mol) | 176.12 |
| ChEBI | CHEBI:29073 |
| MDL Number | MFCD00064328 |
| SMILES | OC[C@H](O)[C@H]1OC(=O)C(O)=C1O |
| Synonym | l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin |
| IUPAC Name | (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one |
| InChI Key | CIWBSHSKHKDKBQ-DOMZIZNONA-N |
| Molecular Formula | C6H8O6 |
Benzyl chloromethyl ether, 75%
CAS: 3587-60-8 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.61 MDL Number: MFCD00000886 InChI Key: LADPCMZCENPFGV-UHFFFAOYSA-N Synonym: benzyl chloromethyl ether,chloromethoxymethyl benzene,chloromethoxy methyl benzene,benzyloxymethyl chloride,chloromethoxymethyl-benzene,benzyl chloromethylether,benzene, chloromethoxy methyl PubChem CID: 137983 IUPAC Name: chloromethoxymethylbenzene SMILES: C1=CC=C(C=C1)COCCl
| PubChem CID | 137983 |
|---|---|
| CAS | 3587-60-8 |
| Molecular Weight (g/mol) | 156.61 |
| MDL Number | MFCD00000886 |
| SMILES | C1=CC=C(C=C1)COCCl |
| Synonym | benzyl chloromethyl ether,chloromethoxymethyl benzene,chloromethoxy methyl benzene,benzyloxymethyl chloride,chloromethoxymethyl-benzene,benzyl chloromethylether,benzene, chloromethoxy methyl |
| IUPAC Name | chloromethoxymethylbenzene |
| InChI Key | LADPCMZCENPFGV-UHFFFAOYSA-N |
| Molecular Formula | C8H9ClO |
Methoxyacetonitrile, 98%
CAS: 1738-36-9 Molecular Formula: C3H5NO Molecular Weight (g/mol): 71.08 MDL Number: MFCD00001892 InChI Key: QKPVEISEHYYHRH-UHFFFAOYSA-N PubChem CID: 74442 IUPAC Name: 2-methoxyacetonitrile SMILES: COCC#N
| PubChem CID | 74442 |
|---|---|
| CAS | 1738-36-9 |
| Molecular Weight (g/mol) | 71.08 |
| MDL Number | MFCD00001892 |
| SMILES | COCC#N |
| IUPAC Name | 2-methoxyacetonitrile |
| InChI Key | QKPVEISEHYYHRH-UHFFFAOYSA-N |
| Molecular Formula | C3H5NO |
Di-n-butyl ether, 99+%, extra pure
CAS: 142-96-1 Molecular Formula: C8H18O Molecular Weight (g/mol): 130.23 MDL Number: MFCD00009461 InChI Key: DURPTKYDGMDSBL-UHFFFAOYSA-N Synonym: di-n-butyl ether,butyl ether,dibutyl ether,butane, 1,1'-oxybis,n-butyl ether,dibutyl oxide,butyl oxide,ether butylique,1,1'-oxybis butane,di-n-butylether PubChem CID: 8909 IUPAC Name: 1-butoxybutane SMILES: CCCCOCCCC
| PubChem CID | 8909 |
|---|---|
| CAS | 142-96-1 |
| Molecular Weight (g/mol) | 130.23 |
| MDL Number | MFCD00009461 |
| SMILES | CCCCOCCCC |
| Synonym | di-n-butyl ether,butyl ether,dibutyl ether,butane, 1,1'-oxybis,n-butyl ether,dibutyl oxide,butyl oxide,ether butylique,1,1'-oxybis butane,di-n-butylether |
| IUPAC Name | 1-butoxybutane |
| InChI Key | DURPTKYDGMDSBL-UHFFFAOYSA-N |
| Molecular Formula | C8H18O |
3-Fluoro-4-methoxypyridine, 97%
CAS: 1060805-03-9 Molecular Formula: C6H6FNO Molecular Weight (g/mol): 127.118 MDL Number: MFCD13185605 InChI Key: XYTUUTJNWFECNS-UHFFFAOYSA-N Synonym: 3-fluoro-4-methoxy-pyridine,pyridine, 3-fluoro-4-methoxy,abbypharma ap-14-5665 PubChem CID: 57336639 IUPAC Name: 3-fluoro-4-methoxypyridine SMILES: COC1=C(C=NC=C1)F
| PubChem CID | 57336639 |
|---|---|
| CAS | 1060805-03-9 |
| Molecular Weight (g/mol) | 127.118 |
| MDL Number | MFCD13185605 |
| SMILES | COC1=C(C=NC=C1)F |
| Synonym | 3-fluoro-4-methoxy-pyridine,pyridine, 3-fluoro-4-methoxy,abbypharma ap-14-5665 |
| IUPAC Name | 3-fluoro-4-methoxypyridine |
| InChI Key | XYTUUTJNWFECNS-UHFFFAOYSA-N |
| Molecular Formula | C6H6FNO |
7-Bromo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine, 97%, Thermo Scientific™
CAS: 34950-82-8 Molecular Formula: C7H7BrN2O Molecular Weight (g/mol): 215.05 MDL Number: MFCD09025906 InChI Key: CYISPVTTZWJFEO-UHFFFAOYSA-N Synonym: 7-bromo-3,4-dihydro-2h-pyrido 3,2-b 1,4 oxazine,7-bromo-3,4-dihydro-2h-pyrido 3,2-b-1,4-oxazine,7-bromo-2h,3h,4h-pyrido 3,2-b 1,4 oxazine,7-bromo-2h,3h,4h-pyridino 2,3-e 1,4-oxazine,pubchem18740,acmc-1aimz,abbypharma ap-13-10238,2h-pyrido 3,2-b-1,4-oxazine,7-bromo-3,4-dihydro PubChem CID: 24229635 SMILES: BrC1=CN=C2NCCOC2=C1
| PubChem CID | 24229635 |
|---|---|
| CAS | 34950-82-8 |
| Molecular Weight (g/mol) | 215.05 |
| MDL Number | MFCD09025906 |
| SMILES | BrC1=CN=C2NCCOC2=C1 |
| Synonym | 7-bromo-3,4-dihydro-2h-pyrido 3,2-b 1,4 oxazine,7-bromo-3,4-dihydro-2h-pyrido 3,2-b-1,4-oxazine,7-bromo-2h,3h,4h-pyrido 3,2-b 1,4 oxazine,7-bromo-2h,3h,4h-pyridino 2,3-e 1,4-oxazine,pubchem18740,acmc-1aimz,abbypharma ap-13-10238,2h-pyrido 3,2-b-1,4-oxazine,7-bromo-3,4-dihydro |
| InChI Key | CYISPVTTZWJFEO-UHFFFAOYSA-N |
| Molecular Formula | C7H7BrN2O |
Acrolein diethyl acetal, 94%
CAS: 3054-95-3 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00009239 InChI Key: MCIPQLOKVXSHTD-UHFFFAOYSA-N Synonym: acrolein diethyl acetal,acrolein diethylacetal,acrolein acetal,3,3-diethoxy-1-propene,1-propene, 3,3-diethoxy,propenal diethyl acetal,3,3-diethoxypropene,1,1-diethoxy-2-propene,acrolein, diethyl acetal,acrylaldehyde diethyl acetal PubChem CID: 62477 IUPAC Name: 3,3-diethoxyprop-1-ene SMILES: CCOC(C=C)OCC
| PubChem CID | 62477 |
|---|---|
| CAS | 3054-95-3 |
| Molecular Weight (g/mol) | 130.19 |
| MDL Number | MFCD00009239 |
| SMILES | CCOC(C=C)OCC |
| Synonym | acrolein diethyl acetal,acrolein diethylacetal,acrolein acetal,3,3-diethoxy-1-propene,1-propene, 3,3-diethoxy,propenal diethyl acetal,3,3-diethoxypropene,1,1-diethoxy-2-propene,acrolein, diethyl acetal,acrylaldehyde diethyl acetal |
| IUPAC Name | 3,3-diethoxyprop-1-ene |
| InChI Key | MCIPQLOKVXSHTD-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
2-Chloro-4-methoxypyridine, 99%, Thermo Scientific™
CAS: 17228-69-2 Molecular Formula: C6H6ClNO Molecular Weight (g/mol): 143.57 MDL Number: MFCD02093951 InChI Key: PMTPFBWHUOWTNN-UHFFFAOYSA-N Synonym: 2-chloro-4-methoxy-pyridine,pyridine, 2-chloro-4-methoxy,zlchem 749,pubchem6204,4-methoxy-2-chloropyridine,2-chloro-4-methoxylpyridine,2-chloro-4-methoxy pyridine,ksc494i4l,2-chloro-4-methoxypyridine PubChem CID: 1991128 IUPAC Name: 2-chloro-4-methoxypyridine SMILES: COC1=CC(=NC=C1)Cl
| PubChem CID | 1991128 |
|---|---|
| CAS | 17228-69-2 |
| Molecular Weight (g/mol) | 143.57 |
| MDL Number | MFCD02093951 |
| SMILES | COC1=CC(=NC=C1)Cl |
| Synonym | 2-chloro-4-methoxy-pyridine,pyridine, 2-chloro-4-methoxy,zlchem 749,pubchem6204,4-methoxy-2-chloropyridine,2-chloro-4-methoxylpyridine,2-chloro-4-methoxy pyridine,ksc494i4l,2-chloro-4-methoxypyridine |
| IUPAC Name | 2-chloro-4-methoxypyridine |
| InChI Key | PMTPFBWHUOWTNN-UHFFFAOYSA-N |
| Molecular Formula | C6H6ClNO |
3,4-diethoxycyclobut-3-ene-1,2-dione, Thermo Scientific™
CAS: 5231-87-8 Molecular Formula: C8H10O4 Molecular Weight (g/mol): 170.164 InChI Key: DFSFLZCLKYZYRD-UHFFFAOYSA-N Synonym: 3,4-diethoxy-3-cyclobutene-1,2-dione,diethyl squarate,squaric acid diethyl ester,3-cyclobutene-1,2-dione, 3,4-diethoxy,diethoxycyclobutenedione,diethoxycyclobut-3-ene-1,2-dione,1,2-diethoxycyclobutenedione,3,4-diethoxy-cyclobut-3-ene-1,2-dione,pubchem9741,acmc-209kyn PubChem CID: 123228 IUPAC Name: 3,4-diethoxycyclobut-3-ene-1,2-dione SMILES: CCOC1=C(C(=O)C1=O)OCC
| PubChem CID | 123228 |
|---|---|
| CAS | 5231-87-8 |
| Molecular Weight (g/mol) | 170.164 |
| SMILES | CCOC1=C(C(=O)C1=O)OCC |
| Synonym | 3,4-diethoxy-3-cyclobutene-1,2-dione,diethyl squarate,squaric acid diethyl ester,3-cyclobutene-1,2-dione, 3,4-diethoxy,diethoxycyclobutenedione,diethoxycyclobut-3-ene-1,2-dione,1,2-diethoxycyclobutenedione,3,4-diethoxy-cyclobut-3-ene-1,2-dione,pubchem9741,acmc-209kyn |
| IUPAC Name | 3,4-diethoxycyclobut-3-ene-1,2-dione |
| InChI Key | DFSFLZCLKYZYRD-UHFFFAOYSA-N |
| Molecular Formula | C8H10O4 |
2-Ethoxyethyl Acetate, 99%, Spectrum™ Chemical
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CAS: 111-15-9
| CAS | 111-15-9 |
|---|