Organooxygen compounds
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3-Acetylpyridine, 98%
CAS: 350-03-8 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.139 MDL Number: MFCD00006396 InChI Key: WEGYGNROSJDEIW-UHFFFAOYSA-N Synonym: 3-acetylpyridine,1-pyridin-3-yl ethanone,3-acetopyridine,1-3-pyridinyl ethanone,methyl 3-pyridyl ketone,ethanone, 1-3-pyridinyl,ketone, methyl 3-pyridyl,3-acetyl pyridine,3-pyridyl methyl ketone,1-pyridin-3-yl ethan-1-one PubChem CID: 9589 IUPAC Name: 1-pyridin-3-ylethanone SMILES: CC(=O)C1=CN=CC=C1
| PubChem CID | 9589 |
|---|---|
| CAS | 350-03-8 |
| Molecular Weight (g/mol) | 121.139 |
| MDL Number | MFCD00006396 |
| SMILES | CC(=O)C1=CN=CC=C1 |
| Synonym | 3-acetylpyridine,1-pyridin-3-yl ethanone,3-acetopyridine,1-3-pyridinyl ethanone,methyl 3-pyridyl ketone,ethanone, 1-3-pyridinyl,ketone, methyl 3-pyridyl,3-acetyl pyridine,3-pyridyl methyl ketone,1-pyridin-3-yl ethan-1-one |
| IUPAC Name | 1-pyridin-3-ylethanone |
| InChI Key | WEGYGNROSJDEIW-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO |
Nerolidol, cis + trans, 97+%
CAS: 7212-44-4 Molecular Formula: C15H26O Molecular Weight (g/mol): 222.37 MDL Number: MFCD00008911,MFCD00008911,MFCD00008911,MFCD00085350 InChI Key: FQTLCLSUCSAZDY-SDNWHVSQNA-N Synonym: 3r,6e-nerolidol,unii-uoc0644v25,3r-6e-nerolidol,nerolidol,3r,6e-3,7,11-trimethyldodeca-1,6,10-trien-3-ol,e-nerolidol,1,6,10-dodecatrien-3-ol, 3,7,11-trimethyl-, 3r,6e,nerolidol, 6e--,--nerolidol,?-nerolidol PubChem CID: 11241545 ChEBI: CHEBI:59959 SMILES: CC(C)=CCC\C(C)=C\CCC(C)(O)C=C
| PubChem CID | 11241545 |
|---|---|
| CAS | 7212-44-4 |
| Molecular Weight (g/mol) | 222.37 |
| ChEBI | CHEBI:59959 |
| MDL Number | MFCD00008911,MFCD00008911,MFCD00008911,MFCD00085350 |
| SMILES | CC(C)=CCC\C(C)=C\CCC(C)(O)C=C |
| Synonym | 3r,6e-nerolidol,unii-uoc0644v25,3r-6e-nerolidol,nerolidol,3r,6e-3,7,11-trimethyldodeca-1,6,10-trien-3-ol,e-nerolidol,1,6,10-dodecatrien-3-ol, 3,7,11-trimethyl-, 3r,6e,nerolidol, 6e--,--nerolidol,?-nerolidol |
| InChI Key | FQTLCLSUCSAZDY-SDNWHVSQNA-N |
| Molecular Formula | C15H26O |
4'-Chloro-3'-fluoroacetophenone, 97%
CAS: 151945-84-5 Molecular Formula: C8H6ClFO Molecular Weight (g/mol): 172.58 MDL Number: MFCD04115858 InChI Key: ATZHNDSADJDUPJ-UHFFFAOYSA-N Synonym: 1-4-chloro-3-fluorophenyl ethanone,4'-chloro-3'-fluoroacetophenone,4-chloro-3-fluoroacetophenone,3-fluoro-4-chloroacetophenone,1-4-chloro-3-fluoro-phenyl ethanone,1-4-chloro-3-fluorophenyl ethan-1-one,ethanone, 1-4-chloro-3-fluorophenyl,intermediates-zcf02162,1-acetyl-4-chloro-3-fluorobenzene,4-acetyl-1-chloro-2-fluorobenzene PubChem CID: 3822077 IUPAC Name: 1-(4-chloro-3-fluorophenyl)ethanone SMILES: CC(=O)C1=CC=C(Cl)C(F)=C1
| PubChem CID | 3822077 |
|---|---|
| CAS | 151945-84-5 |
| Molecular Weight (g/mol) | 172.58 |
| MDL Number | MFCD04115858 |
| SMILES | CC(=O)C1=CC=C(Cl)C(F)=C1 |
| Synonym | 1-4-chloro-3-fluorophenyl ethanone,4'-chloro-3'-fluoroacetophenone,4-chloro-3-fluoroacetophenone,3-fluoro-4-chloroacetophenone,1-4-chloro-3-fluoro-phenyl ethanone,1-4-chloro-3-fluorophenyl ethan-1-one,ethanone, 1-4-chloro-3-fluorophenyl,intermediates-zcf02162,1-acetyl-4-chloro-3-fluorobenzene,4-acetyl-1-chloro-2-fluorobenzene |
| IUPAC Name | 1-(4-chloro-3-fluorophenyl)ethanone |
| InChI Key | ATZHNDSADJDUPJ-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClFO |
2-(Hydroxymethyl)pyridine, 98%
CAS: 586-98-1 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.13 MDL Number: MFCD00006348 InChI Key: SHNUBALDGXWUJI-UHFFFAOYSA-N Synonym: 2-pyridinemethanol,2-hydroxymethyl pyridine,piconol,2-pyridinylmethanol,2-pyridylmethanol,2-pyridylcarbinol,pyridine-2-methanol,pyridine-2-carbinol,alpha-picolyl alcohol,pyridin-2-yl methanol PubChem CID: 11474 IUPAC Name: pyridin-2-ylmethanol SMILES: C1=CC=NC(=C1)CO
| PubChem CID | 11474 |
|---|---|
| CAS | 586-98-1 |
| Molecular Weight (g/mol) | 109.13 |
| MDL Number | MFCD00006348 |
| SMILES | C1=CC=NC(=C1)CO |
| Synonym | 2-pyridinemethanol,2-hydroxymethyl pyridine,piconol,2-pyridinylmethanol,2-pyridylmethanol,2-pyridylcarbinol,pyridine-2-methanol,pyridine-2-carbinol,alpha-picolyl alcohol,pyridin-2-yl methanol |
| IUPAC Name | pyridin-2-ylmethanol |
| InChI Key | SHNUBALDGXWUJI-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO |
2-Amino-3'-nitroacetophenone hydrochloride, 98%
CAS: 36765-84-1 Molecular Formula: C8H9N2O3 Molecular Weight (g/mol): 181.17 MDL Number: MFCD00051997 InChI Key: NXCCDPOCDBAGFX-UHFFFAOYSA-O Synonym: 3-nitrophenacylamine hydrochloride,2-amino-1-3-nitrophenyl ethanone hydrochloride,2-amino-3'-nitroacetophenone hydrochloride,2-amino-1-3-nitrophenyl ethan-1-one hydrochloride,acmc-20amzi,2-amine-3'-nitroacetophenone hcl,2-amino-1-3-nitrophenyl ethanone hcl salt,2-amino-3-nitroacetophenone hydrochloride PubChem CID: 2774374 IUPAC Name: 2-amino-1-(3-nitrophenyl)ethanone;hydrochloride SMILES: [NH3+]CC(=O)C1=CC=CC(=C1)[N+]([O-])=O
| PubChem CID | 2774374 |
|---|---|
| CAS | 36765-84-1 |
| Molecular Weight (g/mol) | 181.17 |
| MDL Number | MFCD00051997 |
| SMILES | [NH3+]CC(=O)C1=CC=CC(=C1)[N+]([O-])=O |
| Synonym | 3-nitrophenacylamine hydrochloride,2-amino-1-3-nitrophenyl ethanone hydrochloride,2-amino-3'-nitroacetophenone hydrochloride,2-amino-1-3-nitrophenyl ethan-1-one hydrochloride,acmc-20amzi,2-amine-3'-nitroacetophenone hcl,2-amino-1-3-nitrophenyl ethanone hcl salt,2-amino-3-nitroacetophenone hydrochloride |
| IUPAC Name | 2-amino-1-(3-nitrophenyl)ethanone;hydrochloride |
| InChI Key | NXCCDPOCDBAGFX-UHFFFAOYSA-O |
| Molecular Formula | C8H9N2O3 |
1,1,1,5,5,5-Hexafluoroacetylacetone, 99%
CAS: 1522-22-1 Molecular Formula: C5H2F6O2 Molecular Weight (g/mol): 208.06 InChI Key: QAMFBRUWYYMMGJ-UHFFFAOYSA-N Synonym: hexafluoroacetylacetone,1,1,1,5,5,5-hexafluoroacetylacetone,1,1,1,5,5,5-hexafluoro-2,4-pentanedione,2,4-pentanedione, 1,1,1,5,5,5-hexafluoro,hexafluoro-2,4-pentanedione,hfac,1,1,1,5,5,5-hexafluoro-2,4-pentadione,1,3-bis trifluoromethyl propane-1,3-dione,1,1,1-trifluoro-3-trifluoroacetyl acetone,2,4-dioxo-1,1,1,5,5,5-hexafluoropentane PubChem CID: 73706 IUPAC Name: 1,1,1,5,5,5-hexafluoropentane-2,4-dione SMILES: C(C(=O)C(F)(F)F)C(=O)C(F)(F)F
| PubChem CID | 73706 |
|---|---|
| CAS | 1522-22-1 |
| Molecular Weight (g/mol) | 208.06 |
| SMILES | C(C(=O)C(F)(F)F)C(=O)C(F)(F)F |
| Synonym | hexafluoroacetylacetone,1,1,1,5,5,5-hexafluoroacetylacetone,1,1,1,5,5,5-hexafluoro-2,4-pentanedione,2,4-pentanedione, 1,1,1,5,5,5-hexafluoro,hexafluoro-2,4-pentanedione,hfac,1,1,1,5,5,5-hexafluoro-2,4-pentadione,1,3-bis trifluoromethyl propane-1,3-dione,1,1,1-trifluoro-3-trifluoroacetyl acetone,2,4-dioxo-1,1,1,5,5,5-hexafluoropentane |
| IUPAC Name | 1,1,1,5,5,5-hexafluoropentane-2,4-dione |
| InChI Key | QAMFBRUWYYMMGJ-UHFFFAOYSA-N |
| Molecular Formula | C5H2F6O2 |
2,5-Dimethoxy-4-methylbenzaldehyde, 97%
CAS: 4925-88-6 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD02253192 InChI Key: LRSRTWLEJBIAIT-UHFFFAOYSA-N Synonym: 4-methyl-2,5-dimethoxybenzaldehyde,unii-238b3l4auk,2,5-dimethoxy-4-methyl-benzaldehyde,benzaldehyde, 2,5-dimethoxy-4-methyl,2,5-dimethoxy-p-tolualdehyde,p-tolualdehyde, 2,5-dimethoxy,who-dd,2,5-dimethoxy-4-methylbenzaldehyde;,2,5-dimethoxy-4-methyl-benzaldehyde;,# PubChem CID: 602019 IUPAC Name: 2,5-dimethoxy-4-methylbenzaldehyde SMILES: COC1=CC(C)=C(OC)C=C1C=O
| PubChem CID | 602019 |
|---|---|
| CAS | 4925-88-6 |
| Molecular Weight (g/mol) | 180.20 |
| MDL Number | MFCD02253192 |
| SMILES | COC1=CC(C)=C(OC)C=C1C=O |
| Synonym | 4-methyl-2,5-dimethoxybenzaldehyde,unii-238b3l4auk,2,5-dimethoxy-4-methyl-benzaldehyde,benzaldehyde, 2,5-dimethoxy-4-methyl,2,5-dimethoxy-p-tolualdehyde,p-tolualdehyde, 2,5-dimethoxy,who-dd,2,5-dimethoxy-4-methylbenzaldehyde;,2,5-dimethoxy-4-methyl-benzaldehyde;,# |
| IUPAC Name | 2,5-dimethoxy-4-methylbenzaldehyde |
| InChI Key | LRSRTWLEJBIAIT-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
4-Ethoxybenzaldehyde, 99%
CAS: 10031-82-0 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00003388 InChI Key: JRHHJNMASOIRDS-UHFFFAOYSA-N Synonym: benzaldehyde, 4-ethoxy,p-ethoxybenzaldehyde,ethoxybenzaldehyde,benzaldehyde, p-ethoxy,homoanisaldehyde,4-ethyloxy benzaldehyde,unii-gow1h0f49a,fema no. 2413,4-ethoxy-benzaldehyde,ethoxybenzaldehyde, p PubChem CID: 24834 IUPAC Name: 4-ethoxybenzaldehyde SMILES: CCOC1=CC=C(C=O)C=C1
| PubChem CID | 24834 |
|---|---|
| CAS | 10031-82-0 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD00003388 |
| SMILES | CCOC1=CC=C(C=O)C=C1 |
| Synonym | benzaldehyde, 4-ethoxy,p-ethoxybenzaldehyde,ethoxybenzaldehyde,benzaldehyde, p-ethoxy,homoanisaldehyde,4-ethyloxy benzaldehyde,unii-gow1h0f49a,fema no. 2413,4-ethoxy-benzaldehyde,ethoxybenzaldehyde, p |
| IUPAC Name | 4-ethoxybenzaldehyde |
| InChI Key | JRHHJNMASOIRDS-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
3-Methoxypropionitrile, 98%
CAS: 110-67-8 Molecular Formula: C4H7NO Molecular Weight (g/mol): 85.11 MDL Number: MFCD00001958 InChI Key: OOWFYDWAMOKVSF-UHFFFAOYSA-N Synonym: 3-methoxypropionitrile,propanenitrile, 3-methoxy,2-cyanoethyl methyl ether,3-methoxypropylnitrile,beta-methoxypropionitrile,1-cyano-2-methoxyethane,propionitrile, 3-methoxy,3-methoxypropannitril,3-methoxypropiononitrile,beta-methyoxypropionitrile PubChem CID: 61032 IUPAC Name: 3-methoxypropanenitrile SMILES: COCCC#N
| PubChem CID | 61032 |
|---|---|
| CAS | 110-67-8 |
| Molecular Weight (g/mol) | 85.11 |
| MDL Number | MFCD00001958 |
| SMILES | COCCC#N |
| Synonym | 3-methoxypropionitrile,propanenitrile, 3-methoxy,2-cyanoethyl methyl ether,3-methoxypropylnitrile,beta-methoxypropionitrile,1-cyano-2-methoxyethane,propionitrile, 3-methoxy,3-methoxypropannitril,3-methoxypropiononitrile,beta-methyoxypropionitrile |
| IUPAC Name | 3-methoxypropanenitrile |
| InChI Key | OOWFYDWAMOKVSF-UHFFFAOYSA-N |
| Molecular Formula | C4H7NO |
Ethyl 3-Oxohexanoate, Spectrum™ Chemical
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CAS: 3249-68-1
| CAS | 3249-68-1 |
|---|
Ascorbic Acid, Fine Powder, 200 to 325 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 |
Trimethyl orthoacetate, 98+%
CAS: 1445-45-0 Molecular Formula: C5H12O3 Molecular Weight (g/mol): 120.15 MDL Number: MFCD00008477 InChI Key: HDPNBNXLBDFELL-UHFFFAOYSA-N Synonym: trimethyl orthoacetate,ethane, 1,1,1-trimethoxy,orthoacetic acid, trimethyl ester,methyl orthoacetate,orthoacetic acid trimethyl ester,ch3c och3 3,unii-04h7a3fk37,tmoa,trimethoxyethane,trimethyl-acetate PubChem CID: 15050 IUPAC Name: 1,1,1-trimethoxyethane SMILES: CC(OC)(OC)OC
| PubChem CID | 15050 |
|---|---|
| CAS | 1445-45-0 |
| Molecular Weight (g/mol) | 120.15 |
| MDL Number | MFCD00008477 |
| SMILES | CC(OC)(OC)OC |
| Synonym | trimethyl orthoacetate,ethane, 1,1,1-trimethoxy,orthoacetic acid, trimethyl ester,methyl orthoacetate,orthoacetic acid trimethyl ester,ch3c och3 3,unii-04h7a3fk37,tmoa,trimethoxyethane,trimethyl-acetate |
| IUPAC Name | 1,1,1-trimethoxyethane |
| InChI Key | HDPNBNXLBDFELL-UHFFFAOYSA-N |
| Molecular Formula | C5H12O3 |
Malonaldehyde bis(dimethyl acetal), 98%
CAS: 102-52-3 Molecular Formula: C7H16O4 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00008488 InChI Key: XHTYQFMRBQUCPX-UHFFFAOYSA-N Synonym: propane, 1,1,3,3-tetramethoxy,tetramethoxypropane,malonaldehyde bis dimethyl acetal,malonaldehyde tetramethyl acetal,malonaldehyde, bis dimethyl acetal,1,1,3,3-tetramethoxy-propane,malonaldehyde bis dime,1,3,3-tetramethoxypropane,ksc174o0b,propane,1,3,3-tetramethoxy PubChem CID: 66019 IUPAC Name: 1,1,3,3-tetramethoxypropane SMILES: COC(CC(OC)OC)OC
| PubChem CID | 66019 |
|---|---|
| CAS | 102-52-3 |
| Molecular Weight (g/mol) | 164.20 |
| MDL Number | MFCD00008488 |
| SMILES | COC(CC(OC)OC)OC |
| Synonym | propane, 1,1,3,3-tetramethoxy,tetramethoxypropane,malonaldehyde bis dimethyl acetal,malonaldehyde tetramethyl acetal,malonaldehyde, bis dimethyl acetal,1,1,3,3-tetramethoxy-propane,malonaldehyde bis dime,1,3,3-tetramethoxypropane,ksc174o0b,propane,1,3,3-tetramethoxy |
| IUPAC Name | 1,1,3,3-tetramethoxypropane |
| InChI Key | XHTYQFMRBQUCPX-UHFFFAOYSA-N |
| Molecular Formula | C7H16O4 |
7-Bromo-3,4-dihydro-2H-1,5-benzodioxepine, 97%, Thermo Scientific™
CAS: 147644-11-9 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00508291 InChI Key: AZCHNKNSOZJHSH-UHFFFAOYSA-N Synonym: 7-bromo-3,4-dihydro-2h-benzo b 1,4 dioxepine,2h-1,5-benzodioxepin, 7-bromo-3,4-dihydro,acmc-1c5pl,7-bromo-2h,3h,4h-benzo b 1,4-dioxepin,7-bromo-3,4-dihydro-2h-1,5-benzodioxepin,2h-1,5-benzodioxepin,7-bromo-3,4-dihydro,7-bromo-3,4-dihydro-1,5-benzodioxepin PubChem CID: 2776394 IUPAC Name: 7-bromo-3,4-dihydro-2H-1,5-benzodioxepine SMILES: C1COC2=C(C=C(C=C2)Br)OC1
| PubChem CID | 2776394 |
|---|---|
| CAS | 147644-11-9 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD00508291 |
| SMILES | C1COC2=C(C=C(C=C2)Br)OC1 |
| Synonym | 7-bromo-3,4-dihydro-2h-benzo b 1,4 dioxepine,2h-1,5-benzodioxepin, 7-bromo-3,4-dihydro,acmc-1c5pl,7-bromo-2h,3h,4h-benzo b 1,4-dioxepin,7-bromo-3,4-dihydro-2h-1,5-benzodioxepin,2h-1,5-benzodioxepin,7-bromo-3,4-dihydro,7-bromo-3,4-dihydro-1,5-benzodioxepin |
| IUPAC Name | 7-bromo-3,4-dihydro-2H-1,5-benzodioxepine |
| InChI Key | AZCHNKNSOZJHSH-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
2',5'-Dimethylacetophenone, 97%
CAS: 2142-73-6 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00014988 InChI Key: AWKBVLVKQQRRFQ-UHFFFAOYSA-N Synonym: 2',5'-dimethylacetophenone,2,5-dimethylacetophenone,1-2,5-dimethylphenyl ethanone,1-2,5-dimethylphenyl ethan-1-one,ethanone, 1-2,5-dimethylphenyl,acetophenone, 2',5'-dimethyl,1-acetyl-2,5-dimethylbenzene,2-acetyl-p-xylene,acmc-1cliy,2',5'dimethylacetophenone PubChem CID: 75061 IUPAC Name: 1-(2,5-dimethylphenyl)ethanone SMILES: CC1=CC(=C(C=C1)C)C(=O)C
| PubChem CID | 75061 |
|---|---|
| CAS | 2142-73-6 |
| Molecular Weight (g/mol) | 148.205 |
| MDL Number | MFCD00014988 |
| SMILES | CC1=CC(=C(C=C1)C)C(=O)C |
| Synonym | 2',5'-dimethylacetophenone,2,5-dimethylacetophenone,1-2,5-dimethylphenyl ethanone,1-2,5-dimethylphenyl ethan-1-one,ethanone, 1-2,5-dimethylphenyl,acetophenone, 2',5'-dimethyl,1-acetyl-2,5-dimethylbenzene,2-acetyl-p-xylene,acmc-1cliy,2',5'dimethylacetophenone |
| IUPAC Name | 1-(2,5-dimethylphenyl)ethanone |
| InChI Key | AWKBVLVKQQRRFQ-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |