Organooxygen compounds
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1,6-Dimethoxyhexane 97.0+%, TCI America™
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CAS: 13179-98-1 Molecular Formula: C8H18O2 Molecular Weight (g/mol): 146.23 MDL Number: MFCD00142569 InChI Key: GZHQUHIMIVEQFV-UHFFFAOYSA-N Synonym: hexane,1,6-dimethoxy,hexamethylene glycol dimethyl ether,hexane, 1,6-dimethoxy,acmc-1c0t4,1,6-dimethoxyhexane PubChem CID: 542359 IUPAC Name: 1,6-dimethoxyhexane SMILES: COCCCCCCOC
| PubChem CID | 542359 |
|---|---|
| CAS | 13179-98-1 |
| Molecular Weight (g/mol) | 146.23 |
| MDL Number | MFCD00142569 |
| SMILES | COCCCCCCOC |
| Synonym | hexane,1,6-dimethoxy,hexamethylene glycol dimethyl ether,hexane, 1,6-dimethoxy,acmc-1c0t4,1,6-dimethoxyhexane |
| IUPAC Name | 1,6-dimethoxyhexane |
| InChI Key | GZHQUHIMIVEQFV-UHFFFAOYSA-N |
| Molecular Formula | C8H18O2 |
4-Butylcyclohexanol (cis- and trans- mixture) 98.0+%, TCI America™
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CAS: 70568-60-4 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.269 MDL Number: MFCD01321147 InChI Key: NUANGSLQWFBVEH-UHFFFAOYSA-N PubChem CID: 4132186 IUPAC Name: 4-butylcyclohexan-1-ol SMILES: CCCCC1CCC(CC1)O
| PubChem CID | 4132186 |
|---|---|
| CAS | 70568-60-4 |
| Molecular Weight (g/mol) | 156.269 |
| MDL Number | MFCD01321147 |
| SMILES | CCCCC1CCC(CC1)O |
| IUPAC Name | 4-butylcyclohexan-1-ol |
| InChI Key | NUANGSLQWFBVEH-UHFFFAOYSA-N |
| Molecular Formula | C10H20O |
2-Acetyl-5-chlorothiophene 99.0+%, TCI America™
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CAS: 6310-09-4 Molecular Formula: C6H5ClOS Molecular Weight (g/mol): 160.62 MDL Number: MFCD00005444 InChI Key: HTZGPEHWQCRXGZ-UHFFFAOYSA-N Synonym: 2-acetyl-5-chlorothiophene,1-5-chlorothiophen-2-yl ethanone,1-5-chloro-2-thienyl ethanone,5-chloro-2-acetylthiophene,ethanone, 1-5-chloro-2-thienyl,5-chlor-2-acetyl thiophen,ketone, 5-chloro-2-thienyl methyl,1-5-chlorothiophen-2-yl ethan-1-one,5-chloro-2-thienyl methyl ketone,2-chloro-5-acetylthiophene PubChem CID: 80572 IUPAC Name: 1-(5-chlorothiophen-2-yl)ethanone SMILES: CC(=O)C1=CC=C(S1)Cl
| PubChem CID | 80572 |
|---|---|
| CAS | 6310-09-4 |
| Molecular Weight (g/mol) | 160.62 |
| MDL Number | MFCD00005444 |
| SMILES | CC(=O)C1=CC=C(S1)Cl |
| Synonym | 2-acetyl-5-chlorothiophene,1-5-chlorothiophen-2-yl ethanone,1-5-chloro-2-thienyl ethanone,5-chloro-2-acetylthiophene,ethanone, 1-5-chloro-2-thienyl,5-chlor-2-acetyl thiophen,ketone, 5-chloro-2-thienyl methyl,1-5-chlorothiophen-2-yl ethan-1-one,5-chloro-2-thienyl methyl ketone,2-chloro-5-acetylthiophene |
| IUPAC Name | 1-(5-chlorothiophen-2-yl)ethanone |
| InChI Key | HTZGPEHWQCRXGZ-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClOS |
6-Chloro-4-chromanone 98.0+%, TCI America™
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CAS: 37674-72-9 Molecular Formula: C9H7ClO2 Molecular Weight (g/mol): 182.603 InChI Key: LLTDYHFVIVSQPJ-UHFFFAOYSA-N Synonym: 6-chlorochroman-4-one,6-chloro-4-chromanone,4h-1-benzopyran-4-one, 6-chloro-2,3-dihydro,6-chloro chroman-4-one,6-chloro-2,3-dihydro-4h-chromen-4-one,6-chloro-2,3-dihydro-1-benzopyran-4-one,6-chloro-3,4-dihydro-2h-1-benzopyran-4-one,pubchem17931,6-chloro-chroman-4-one,acmc-1acq5 PubChem CID: 95273 IUPAC Name: 6-chloro-2,3-dihydrochromen-4-one SMILES: C1COC2=C(C1=O)C=C(C=C2)Cl
| PubChem CID | 95273 |
|---|---|
| CAS | 37674-72-9 |
| Molecular Weight (g/mol) | 182.603 |
| SMILES | C1COC2=C(C1=O)C=C(C=C2)Cl |
| Synonym | 6-chlorochroman-4-one,6-chloro-4-chromanone,4h-1-benzopyran-4-one, 6-chloro-2,3-dihydro,6-chloro chroman-4-one,6-chloro-2,3-dihydro-4h-chromen-4-one,6-chloro-2,3-dihydro-1-benzopyran-4-one,6-chloro-3,4-dihydro-2h-1-benzopyran-4-one,pubchem17931,6-chloro-chroman-4-one,acmc-1acq5 |
| IUPAC Name | 6-chloro-2,3-dihydrochromen-4-one |
| InChI Key | LLTDYHFVIVSQPJ-UHFFFAOYSA-N |
| Molecular Formula | C9H7ClO2 |
trans,trans-1,5-Bis(4-methoxyphenyl)-1,4-pentadien-3-one 98.0+%, TCI America™
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CAS: 37951-12-5 Molecular Formula: C19H18O3 Molecular Weight (g/mol): 294.35 MDL Number: MFCD00014901 InChI Key: IOZVKDXPBWBUKY-LQIBPGRFSA-N Synonym: trans,trans-Bis(4-methoxybenzal)acetone, trans,trans-Bis(4-methoxybenzylidene)acetone, trans,trans-Bis(4-methoxystyryl) Ketone PubChem CID: 715840 IUPAC Name: (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one SMILES: COC1=CC=C(C=C1)C=CC(=O)C=CC2=CC=C(C=C2)OC
| PubChem CID | 715840 |
|---|---|
| CAS | 37951-12-5 |
| Molecular Weight (g/mol) | 294.35 |
| MDL Number | MFCD00014901 |
| SMILES | COC1=CC=C(C=C1)C=CC(=O)C=CC2=CC=C(C=C2)OC |
| Synonym | trans,trans-Bis(4-methoxybenzal)acetone, trans,trans-Bis(4-methoxybenzylidene)acetone, trans,trans-Bis(4-methoxystyryl) Ketone |
| IUPAC Name | (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one |
| InChI Key | IOZVKDXPBWBUKY-LQIBPGRFSA-N |
| Molecular Formula | C19H18O3 |
3-Acetyl-2-(methylaminosulfonyl)thiophene 98.0+%, TCI America™
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CAS: 138891-01-7 Molecular Formula: C7H9NO3S2 Molecular Weight (g/mol): 219.273 MDL Number: MFCD00191372 InChI Key: OTWLSKTWKAMLMQ-UHFFFAOYSA-N Synonym: 3-Acetyl-2-thiophene-N-methylsulfonamide PubChem CID: 10632675 IUPAC Name: 3-acetyl-N-methylthiophene-2-sulfonamide SMILES: CC(=O)C1=C(SC=C1)S(=O)(=O)NC
| PubChem CID | 10632675 |
|---|---|
| CAS | 138891-01-7 |
| Molecular Weight (g/mol) | 219.273 |
| MDL Number | MFCD00191372 |
| SMILES | CC(=O)C1=C(SC=C1)S(=O)(=O)NC |
| Synonym | 3-Acetyl-2-thiophene-N-methylsulfonamide |
| IUPAC Name | 3-acetyl-N-methylthiophene-2-sulfonamide |
| InChI Key | OTWLSKTWKAMLMQ-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO3S2 |
5-Norbornene-2-endo,3-endo-dimethanol 98.0+%, TCI America™
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CAS: 699-97-8 Molecular Formula: C9H14O2 Molecular Weight (g/mol): 154.209 InChI Key: IGHHPVIMEQGKNE-WZENYGAOSA-N Synonym: 5-norbornene-2-endo,3-endo-dimethanol,norborna-5-ene-2alpha,3alpha-dimethanol,bicyclo 2.2.1 hept-5-ene-2,3-dimethanol, 2r,3s-rel-9ci,2s,3r-3-hydroxymethyl bicyclo 2.2.1 hept-5-en-2-yl methanol PubChem CID: 12253651 IUPAC Name: [(2R,3S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol SMILES: C1C2C=CC1C(C2CO)CO
| PubChem CID | 12253651 |
|---|---|
| CAS | 699-97-8 |
| Molecular Weight (g/mol) | 154.209 |
| SMILES | C1C2C=CC1C(C2CO)CO |
| Synonym | 5-norbornene-2-endo,3-endo-dimethanol,norborna-5-ene-2alpha,3alpha-dimethanol,bicyclo 2.2.1 hept-5-ene-2,3-dimethanol, 2r,3s-rel-9ci,2s,3r-3-hydroxymethyl bicyclo 2.2.1 hept-5-en-2-yl methanol |
| IUPAC Name | [(2R,3S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol |
| InChI Key | IGHHPVIMEQGKNE-WZENYGAOSA-N |
| Molecular Formula | C9H14O2 |
Methylmalonic Acid 98.0+%, TCI America™
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CAS: 516-05-2 Molecular Formula: C4H6O4 Molecular Weight (g/mol): 118.09 MDL Number: MFCD00002656 InChI Key: ZIYVHBGGAOATLY-UHFFFAOYSA-N Synonym: methylmalonic acid,2-methylmalonic acid,isosuccinic acid,methylmalonate,propanedioic acid, methyl,1,1-ethanedicarboxylic acid,malonic acid, methyl,methyl malonic acid,methylpropanedioic acid,unii-8ll8s712j7 PubChem CID: 487 ChEBI: CHEBI:30860 IUPAC Name: 2-methylpropanedioic acid SMILES: CC(C(O)=O)C(O)=O
| PubChem CID | 487 |
|---|---|
| CAS | 516-05-2 |
| Molecular Weight (g/mol) | 118.09 |
| ChEBI | CHEBI:30860 |
| MDL Number | MFCD00002656 |
| SMILES | CC(C(O)=O)C(O)=O |
| Synonym | methylmalonic acid,2-methylmalonic acid,isosuccinic acid,methylmalonate,propanedioic acid, methyl,1,1-ethanedicarboxylic acid,malonic acid, methyl,methyl malonic acid,methylpropanedioic acid,unii-8ll8s712j7 |
| IUPAC Name | 2-methylpropanedioic acid |
| InChI Key | ZIYVHBGGAOATLY-UHFFFAOYSA-N |
| Molecular Formula | C4H6O4 |
4H-Cyclopenta[1,2-b:5,4-b']dithiophen-4-one 98.0+%, TCI America™
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CAS: 25796-77-4 Molecular Formula: C9H4OS2 Molecular Weight (g/mol): 192.25 MDL Number: MFCD16619150 InChI Key: HFIUHKXJUKKOIZ-UHFFFAOYSA-N PubChem CID: 10976338 IUPAC Name: 3,11-dithiatricyclo[6.3.0.0²,⁶]undeca-1(8),2(6),4,9-tetraen-7-one SMILES: O=C1C2=C(SC=C2)C2=C1C=CS2
| PubChem CID | 10976338 |
|---|---|
| CAS | 25796-77-4 |
| Molecular Weight (g/mol) | 192.25 |
| MDL Number | MFCD16619150 |
| SMILES | O=C1C2=C(SC=C2)C2=C1C=CS2 |
| IUPAC Name | 3,11-dithiatricyclo[6.3.0.0²,⁶]undeca-1(8),2(6),4,9-tetraen-7-one |
| InChI Key | HFIUHKXJUKKOIZ-UHFFFAOYSA-N |
| Molecular Formula | C9H4OS2 |
Hexadecyl Ether 95.0+%, TCI America™
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CAS: 4113-12-6 Molecular Formula: C32H66O Molecular Weight (g/mol): 466.88 MDL Number: MFCD00026650 InChI Key: FDCJDKXCCYFOCV-UHFFFAOYSA-N Synonym: Dihexadecyl Ether PubChem CID: 77757 IUPAC Name: 1-hexadecoxyhexadecane SMILES: CCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCC
| PubChem CID | 77757 |
|---|---|
| CAS | 4113-12-6 |
| Molecular Weight (g/mol) | 466.88 |
| MDL Number | MFCD00026650 |
| SMILES | CCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCC |
| Synonym | Dihexadecyl Ether |
| IUPAC Name | 1-hexadecoxyhexadecane |
| InChI Key | FDCJDKXCCYFOCV-UHFFFAOYSA-N |
| Molecular Formula | C32H66O |
2-Chloro-4-pyridinecarboxaldehyde 98.0+%, TCI America™
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CAS: 101066-61-9 Molecular Formula: C6H4ClNO Molecular Weight (g/mol): 141.55 MDL Number: MFCD06651557 InChI Key: UFPOSTQMFOYHJI-UHFFFAOYSA-N Synonym: 2-chloroisonicotinaldehyde,2-chloro-4-pyridinecarboxaldehyde,2-chloro-4-formylpyridine,2-chloro-pyridine-4-carbaldehyde,2-chloropyridine-4-carboxaldehyde,4-pyridinecarboxaldehyde, 2-chloro,pubchem5099,6-chloroisonicotinaldehyde,ksc180g9n,2-chloropyridin-4-carbaldehyde PubChem CID: 2762994 IUPAC Name: 2-chloropyridine-4-carbaldehyde SMILES: ClC1=CC(C=O)=CC=N1
| PubChem CID | 2762994 |
|---|---|
| CAS | 101066-61-9 |
| Molecular Weight (g/mol) | 141.55 |
| MDL Number | MFCD06651557 |
| SMILES | ClC1=CC(C=O)=CC=N1 |
| Synonym | 2-chloroisonicotinaldehyde,2-chloro-4-pyridinecarboxaldehyde,2-chloro-4-formylpyridine,2-chloro-pyridine-4-carbaldehyde,2-chloropyridine-4-carboxaldehyde,4-pyridinecarboxaldehyde, 2-chloro,pubchem5099,6-chloroisonicotinaldehyde,ksc180g9n,2-chloropyridin-4-carbaldehyde |
| IUPAC Name | 2-chloropyridine-4-carbaldehyde |
| InChI Key | UFPOSTQMFOYHJI-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClNO |
3-(2-Hydroxyethoxy)benzaldehyde 96.0+%, TCI America™
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CAS: 60345-97-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00191448 InChI Key: LIUCHRXQRHVSJI-UHFFFAOYSA-N PubChem CID: 6453965 IUPAC Name: 3-(2-hydroxyethoxy)benzaldehyde SMILES: OCCOC1=CC=CC(C=O)=C1
| PubChem CID | 6453965 |
|---|---|
| CAS | 60345-97-3 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00191448 |
| SMILES | OCCOC1=CC=CC(C=O)=C1 |
| IUPAC Name | 3-(2-hydroxyethoxy)benzaldehyde |
| InChI Key | LIUCHRXQRHVSJI-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
4-Pyridinepropanol 97.0+%, TCI America™
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CAS: 2629-72-3 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.182 MDL Number: MFCD00047457 InChI Key: PZVZGDBCMQBRMA-UHFFFAOYSA-N Synonym: 4-(3-Hydroxypropyl)pyridine, 3-(4-Pyridyl)propanol PubChem CID: 72923 IUPAC Name: 3-pyridin-4-ylpropan-1-ol SMILES: C1=CN=CC=C1CCCO
| PubChem CID | 72923 |
|---|---|
| CAS | 2629-72-3 |
| Molecular Weight (g/mol) | 137.182 |
| MDL Number | MFCD00047457 |
| SMILES | C1=CN=CC=C1CCCO |
| Synonym | 4-(3-Hydroxypropyl)pyridine, 3-(4-Pyridyl)propanol |
| IUPAC Name | 3-pyridin-4-ylpropan-1-ol |
| InChI Key | PZVZGDBCMQBRMA-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO |
(R)-(-)-1,3-Butanediol 98.0+%, TCI America™
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CAS: 6290-03-5 Molecular Formula: C4H10O2 Molecular Weight (g/mol): 90.12 MDL Number: MFCD00064277 InChI Key: PUPZLCDOIYMWBV-UHFFFAOYNA-N Synonym: r---1,3-butanediol,r-butane-1,3-diol,3r-butane-1,3-diol,r-1,3-butanediol,1,3-butanediol, 3r,r---1,3-butylene glycol,r---butane-1,3-diol,1,3-butanediol, r PubChem CID: 637497 ChEBI: CHEBI:52687 IUPAC Name: (3R)-butane-1,3-diol SMILES: CC(CCO)O
| PubChem CID | 637497 |
|---|---|
| CAS | 6290-03-5 |
| Molecular Weight (g/mol) | 90.12 |
| ChEBI | CHEBI:52687 |
| MDL Number | MFCD00064277 |
| SMILES | CC(CCO)O |
| Synonym | r---1,3-butanediol,r-butane-1,3-diol,3r-butane-1,3-diol,r-1,3-butanediol,1,3-butanediol, 3r,r---1,3-butylene glycol,r---butane-1,3-diol,1,3-butanediol, r |
| IUPAC Name | (3R)-butane-1,3-diol |
| InChI Key | PUPZLCDOIYMWBV-UHFFFAOYNA-N |
| Molecular Formula | C4H10O2 |
3,4-Dimethyl-3-hexanol 99.0+%, TCI America™
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CAS: 19550-08-4 Molecular Formula: C8H18O Molecular Weight (g/mol): 130.231 MDL Number: MFCD00021820 InChI Key: FJXOYCIYKQJAAF-UHFFFAOYSA-N PubChem CID: 140548 IUPAC Name: 3,4-dimethylhexan-3-ol SMILES: CCC(C)C(C)(CC)O
| PubChem CID | 140548 |
|---|---|
| CAS | 19550-08-4 |
| Molecular Weight (g/mol) | 130.231 |
| MDL Number | MFCD00021820 |
| SMILES | CCC(C)C(C)(CC)O |
| IUPAC Name | 3,4-dimethylhexan-3-ol |
| InChI Key | FJXOYCIYKQJAAF-UHFFFAOYSA-N |
| Molecular Formula | C8H18O |