Organooxygen compounds
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2-(o-Tolyl)ethanol 98.0+%, TCI America™
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CAS: 19819-98-8 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00044241 InChI Key: RUGISKODRCWQNE-UHFFFAOYSA-N Synonym: 2-o-tolyl ethanol,2-methylphenethyl alcohol,2-2-methylphenyl ethanol,benzeneethanol, 2-methyl,o-methylphenethyl alcohol,phenethyl alcohol, o-methyl,2-methylbenzeneethanol,toluene-ethanol,unii-vx8700jgjp,2-2-methylphenyl ethan-1-ol PubChem CID: 88267 IUPAC Name: 2-(2-methylphenyl)ethanol SMILES: CC1=CC=CC=C1CCO
| PubChem CID | 88267 |
|---|---|
| CAS | 19819-98-8 |
| Molecular Weight (g/mol) | 136.194 |
| MDL Number | MFCD00044241 |
| SMILES | CC1=CC=CC=C1CCO |
| Synonym | 2-o-tolyl ethanol,2-methylphenethyl alcohol,2-2-methylphenyl ethanol,benzeneethanol, 2-methyl,o-methylphenethyl alcohol,phenethyl alcohol, o-methyl,2-methylbenzeneethanol,toluene-ethanol,unii-vx8700jgjp,2-2-methylphenyl ethan-1-ol |
| IUPAC Name | 2-(2-methylphenyl)ethanol |
| InChI Key | RUGISKODRCWQNE-UHFFFAOYSA-N |
| Molecular Formula | C9H12O |
5-Norbornene-2,2-dimethanol 98.0+%, TCI America™
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CAS: 6707-12-6 Molecular Formula: C9H14O2 Molecular Weight (g/mol): 154.21 MDL Number: MFCD00167595 InChI Key: DSHXMENPUICESR-UHFFFAOYNA-N Synonym: Bicyclo[2.2.1]hept-5-ene-2,2-dimethanol, 2,2-Bis(hydroxymethyl)-5-norbornene PubChem CID: 110917 IUPAC Name: [5-(hydroxymethyl)-5-bicyclo[2.2.1]hept-2-enyl]methanol SMILES: C1C2CC(C1C=C2)(CO)CO
| PubChem CID | 110917 |
|---|---|
| CAS | 6707-12-6 |
| Molecular Weight (g/mol) | 154.21 |
| MDL Number | MFCD00167595 |
| SMILES | C1C2CC(C1C=C2)(CO)CO |
| Synonym | Bicyclo[2.2.1]hept-5-ene-2,2-dimethanol, 2,2-Bis(hydroxymethyl)-5-norbornene |
| IUPAC Name | [5-(hydroxymethyl)-5-bicyclo[2.2.1]hept-2-enyl]methanol |
| InChI Key | DSHXMENPUICESR-UHFFFAOYNA-N |
| Molecular Formula | C9H14O2 |
9-Phenylxanthen-9-ol, TCI America™
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CAS: 596-38-3 Molecular Formula: C19H14O2 Molecular Weight (g/mol): 274.319 MDL Number: MFCD00005058 InChI Key: CVZUPKFPOSRRSK-UHFFFAOYSA-N Synonym: 9-phenyl-9h-xanthen-9-ol,9h-xanthen-9-ol, 9-phenyl,9-phenyl-9-xanthenol,9-phenylxanthydrol,9-phenyl-xanthenol,acmc-209meu,9-phenyl-9h-xanthen-9-ol # PubChem CID: 68997 IUPAC Name: 9-phenylxanthen-9-ol SMILES: C1=CC=C(C=C1)C2(C3=CC=CC=C3OC4=CC=CC=C42)O
| PubChem CID | 68997 |
|---|---|
| CAS | 596-38-3 |
| Molecular Weight (g/mol) | 274.319 |
| MDL Number | MFCD00005058 |
| SMILES | C1=CC=C(C=C1)C2(C3=CC=CC=C3OC4=CC=CC=C42)O |
| Synonym | 9-phenyl-9h-xanthen-9-ol,9h-xanthen-9-ol, 9-phenyl,9-phenyl-9-xanthenol,9-phenylxanthydrol,9-phenyl-xanthenol,acmc-209meu,9-phenyl-9h-xanthen-9-ol # |
| IUPAC Name | 9-phenylxanthen-9-ol |
| InChI Key | CVZUPKFPOSRRSK-UHFFFAOYSA-N |
| Molecular Formula | C19H14O2 |
Raloxifene Hydrochloride 98.0+%, TCI America™
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CAS: 82640-04-8 Molecular Formula: C28H28ClNO4S Molecular Weight (g/mol): 510.045 MDL Number: MFCD01938233 InChI Key: BKXVVCILCIUCLG-UHFFFAOYSA-N Synonym: raloxifene hydrochloride,raloxifene hcl,evista,keoxifene hydrochloride,6-hydroxy-2-4-hydroxyphenyl benzo b thiophen-3-yl 4-2-piperidin-1-yl ethoxy phenyl methanone hydrochloride,keoxifene,unii-4f86w47br6,evista raloxifene hydrochloride,6-hydroxy-2-p-hydroxyphenyl benzo b thien-3-yl-p-2-piperidinoethoxy phenyl ketone, hydrochloride PubChem CID: 54900 ChEBI: CHEBI:50740 IUPAC Name: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride SMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O.Cl
| PubChem CID | 54900 |
|---|---|
| CAS | 82640-04-8 |
| Molecular Weight (g/mol) | 510.045 |
| ChEBI | CHEBI:50740 |
| MDL Number | MFCD01938233 |
| SMILES | C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O.Cl |
| Synonym | raloxifene hydrochloride,raloxifene hcl,evista,keoxifene hydrochloride,6-hydroxy-2-4-hydroxyphenyl benzo b thiophen-3-yl 4-2-piperidin-1-yl ethoxy phenyl methanone hydrochloride,keoxifene,unii-4f86w47br6,evista raloxifene hydrochloride,6-hydroxy-2-p-hydroxyphenyl benzo b thien-3-yl-p-2-piperidinoethoxy phenyl ketone, hydrochloride |
| IUPAC Name | [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride |
| InChI Key | BKXVVCILCIUCLG-UHFFFAOYSA-N |
| Molecular Formula | C28H28ClNO4S |
(1R,2R)-2-Aminocyclopentanol Hydrochloride 98.0+%, TCI America™
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CAS: 68327-11-7 Molecular Formula: C5H12ClNO Molecular Weight (g/mol): 137.607 MDL Number: MFCD09834692 InChI Key: ZFSXKSSWYSZPGQ-TYSVMGFPSA-N Synonym: (1R,2R)-2-Amino-1-hydroxycyclopentane Hydrochloride PubChem CID: 12886906 IUPAC Name: (1R,2R)-2-aminocyclopentan-1-ol;hydrochloride SMILES: C1CC(C(C1)O)N.Cl
| PubChem CID | 12886906 |
|---|---|
| CAS | 68327-11-7 |
| Molecular Weight (g/mol) | 137.607 |
| MDL Number | MFCD09834692 |
| SMILES | C1CC(C(C1)O)N.Cl |
| Synonym | (1R,2R)-2-Amino-1-hydroxycyclopentane Hydrochloride |
| IUPAC Name | (1R,2R)-2-aminocyclopentan-1-ol;hydrochloride |
| InChI Key | ZFSXKSSWYSZPGQ-TYSVMGFPSA-N |
| Molecular Formula | C5H12ClNO |
Dichloromethyl Methyl Ether 97.0+%, TCI America™
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CAS: 4885-02-3 Molecular Formula: C2H4Cl2O Molecular Weight (g/mol): 114.95 MDL Number: MFCD00000828 InChI Key: GRTGGSXWHGKRSB-UHFFFAOYSA-N Synonym: dichloromethyl methyl ether,1,1-dichlorodimethyl ether,dichloro methoxy methane,methane, dichloromethoxy,ether, dichloromethyl methyl,alpha,alpha-dichloromethyl methyl ether,methoxydichloromethane,1,1-dichloromethyl methyl ether,alpha,alpha-dichloromethyl ether,dichloromethylmethylether PubChem CID: 21004 IUPAC Name: dichloro(methoxy)methane SMILES: COC(Cl)Cl
| PubChem CID | 21004 |
|---|---|
| CAS | 4885-02-3 |
| Molecular Weight (g/mol) | 114.95 |
| MDL Number | MFCD00000828 |
| SMILES | COC(Cl)Cl |
| Synonym | dichloromethyl methyl ether,1,1-dichlorodimethyl ether,dichloro methoxy methane,methane, dichloromethoxy,ether, dichloromethyl methyl,alpha,alpha-dichloromethyl methyl ether,methoxydichloromethane,1,1-dichloromethyl methyl ether,alpha,alpha-dichloromethyl ether,dichloromethylmethylether |
| IUPAC Name | dichloro(methoxy)methane |
| InChI Key | GRTGGSXWHGKRSB-UHFFFAOYSA-N |
| Molecular Formula | C2H4Cl2O |
(S)-2,2'-Dimethoxy-1,1'-binaphthyl 98.0+%, TCI America™
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CAS: 75640-87-8 Molecular Formula: C22H18O2 Molecular Weight (g/mol): 314.384 MDL Number: MFCD00091146 InChI Key: BJAADAKPADTRCH-UHFFFAOYSA-N Synonym: (S)-1,1′C-Bi-2-naphthol Dimethyl Ether PubChem CID: 235616 IUPAC Name: 2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene SMILES: COC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)OC
| PubChem CID | 235616 |
|---|---|
| CAS | 75640-87-8 |
| Molecular Weight (g/mol) | 314.384 |
| MDL Number | MFCD00091146 |
| SMILES | COC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)OC |
| Synonym | (S)-1,1′C-Bi-2-naphthol Dimethyl Ether |
| IUPAC Name | 2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene |
| InChI Key | BJAADAKPADTRCH-UHFFFAOYSA-N |
| Molecular Formula | C22H18O2 |
Triethylene Glycol Monoisopropyl Ether 98.0+%, TCI America™
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CAS: 29681-21-8 Molecular Formula: C9H20O4 Molecular Weight (g/mol): 192.26 MDL Number: MFCD00145451 InChI Key: PMMZQEGTYWCTBY-UHFFFAOYNA-N Synonym: Isopropyl Triglycol PubChem CID: 542224 IUPAC Name: 1-{2-[2-(propan-2-yloxy)ethoxy]ethoxy}ethan-1-ol SMILES: CC(C)OCCOCCOC(C)O
| PubChem CID | 542224 |
|---|---|
| CAS | 29681-21-8 |
| Molecular Weight (g/mol) | 192.26 |
| MDL Number | MFCD00145451 |
| SMILES | CC(C)OCCOCCOC(C)O |
| Synonym | Isopropyl Triglycol |
| IUPAC Name | 1-{2-[2-(propan-2-yloxy)ethoxy]ethoxy}ethan-1-ol |
| InChI Key | PMMZQEGTYWCTBY-UHFFFAOYNA-N |
| Molecular Formula | C9H20O4 |
2-(4-Methoxybenzoyl)thiophene 98.0+%, TCI America™
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4'-Nitroacetophenone 98.0+%, TCI America™
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CAS: 100-19-6 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.15 MDL Number: MFCD00007355 InChI Key: YQYGPGKTNQNXMH-UHFFFAOYSA-N Synonym: p-nitroacetophenone,4'-nitroacetophenone,4-nitroacetophenone,1-4-nitrophenyl ethanone,p-acetylnitrobenzene,paranitroacetophenone,p-nitrophenyl methyl ketone,1-4-nitrophenyl ethan-1-one,ethanone, 1-4-nitrophenyl,pnap PubChem CID: 7487 ChEBI: CHEBI:28735 IUPAC Name: 1-(4-nitrophenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 7487 |
|---|---|
| CAS | 100-19-6 |
| Molecular Weight (g/mol) | 165.15 |
| ChEBI | CHEBI:28735 |
| MDL Number | MFCD00007355 |
| SMILES | CC(=O)C1=CC=C(C=C1)[N+]([O-])=O |
| Synonym | p-nitroacetophenone,4'-nitroacetophenone,4-nitroacetophenone,1-4-nitrophenyl ethanone,p-acetylnitrobenzene,paranitroacetophenone,p-nitrophenyl methyl ketone,1-4-nitrophenyl ethan-1-one,ethanone, 1-4-nitrophenyl,pnap |
| IUPAC Name | 1-(4-nitrophenyl)ethan-1-one |
| InChI Key | YQYGPGKTNQNXMH-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO3 |
Ethyl 2-(Ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate 96.0+%, TCI America™
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CAS: 571-55-1 Molecular Formula: C9H11F3O4 Molecular Weight (g/mol): 240.178 MDL Number: MFCD02677683 InChI Key: XNGGOXOLHQANRB-AATRIKPKSA-N Synonym: ethyl ethoxymethylene-3-oxo-4,4,4-trifluorobutyrate,ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutyrate,e-ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2-ethoxymethylene-4,4,4-trifluoroacetoacetate,ethyl 2e-2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoate,ethyl ethoxymethylene-3-oxo-4,4,4-trifluoro-butyrate,ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2e-3-ethoxy-2-2,2,2-trifluoroacetyl prop-2-enoate,2e-2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoic acid ethyl ester PubChem CID: 6185754 IUPAC Name: ethyl (2E)-2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate SMILES: CCOC=C(C(=O)C(F)(F)F)C(=O)OCC
| PubChem CID | 6185754 |
|---|---|
| CAS | 571-55-1 |
| Molecular Weight (g/mol) | 240.178 |
| MDL Number | MFCD02677683 |
| SMILES | CCOC=C(C(=O)C(F)(F)F)C(=O)OCC |
| Synonym | ethyl ethoxymethylene-3-oxo-4,4,4-trifluorobutyrate,ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutyrate,e-ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2-ethoxymethylene-4,4,4-trifluoroacetoacetate,ethyl 2e-2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoate,ethyl ethoxymethylene-3-oxo-4,4,4-trifluoro-butyrate,ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2e-3-ethoxy-2-2,2,2-trifluoroacetyl prop-2-enoate,2e-2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoic acid ethyl ester |
| IUPAC Name | ethyl (2E)-2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate |
| InChI Key | XNGGOXOLHQANRB-AATRIKPKSA-N |
| Molecular Formula | C9H11F3O4 |
Riboflavin, TCI America™
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CAS: 83-88-5 Molecular Formula: C17H20N4O6 Molecular Weight (g/mol): 376.37 MDL Number: MFCD00005022 InChI Key: AUNGANRZJHBGPY-QTZZOOGMNA-N Synonym: riboflavin,vitamin b2,lactoflavin,riboflavine,vitamin g,lactoflavine,--riboflavin,beflavin,beflavine,flavaxin PubChem CID: 71310809 IUPAC Name: 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione SMILES: CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1
| PubChem CID | 71310809 |
|---|---|
| CAS | 83-88-5 |
| Molecular Weight (g/mol) | 376.37 |
| MDL Number | MFCD00005022 |
| SMILES | CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1 |
| Synonym | riboflavin,vitamin b2,lactoflavin,riboflavine,vitamin g,lactoflavine,--riboflavin,beflavin,beflavine,flavaxin |
| IUPAC Name | 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione |
| InChI Key | AUNGANRZJHBGPY-QTZZOOGMNA-N |
| Molecular Formula | C17H20N4O6 |
trans-2-Pentenal 95.0+%, TCI America™
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CAS: 1576-87-0 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00009615 InChI Key: DTCCTIQRPGSLPT-ONEGZZNKSA-N Synonym: trans-2-pentenal,2-pentenal,e-2-pentenal,e-pent-2-enal,3-ethylacrolein,pent-2-enal,2-pentenal, e,2-e-pentenal,3-ethyl-2-propenal,e-pent-2-en-1-al PubChem CID: 5364752 IUPAC Name: (E)-pent-2-enal SMILES: CCC=CC=O
| PubChem CID | 5364752 |
|---|---|
| CAS | 1576-87-0 |
| Molecular Weight (g/mol) | 84.118 |
| MDL Number | MFCD00009615 |
| SMILES | CCC=CC=O |
| Synonym | trans-2-pentenal,2-pentenal,e-2-pentenal,e-pent-2-enal,3-ethylacrolein,pent-2-enal,2-pentenal, e,2-e-pentenal,3-ethyl-2-propenal,e-pent-2-en-1-al |
| IUPAC Name | (E)-pent-2-enal |
| InChI Key | DTCCTIQRPGSLPT-ONEGZZNKSA-N |
| Molecular Formula | C5H8O |
3-Ethoxybenzaldehyde 98.0+%, TCI America™
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CAS: 22924-15-8 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00016606 InChI Key: QZMGMXBYJZVAJN-UHFFFAOYSA-N Synonym: m-ethoxybenzaldehyde,benzaldehyde, 3-ethoxy,3-ethoxy-benzaldehyde,benzaldehyde, m-ethoxy,3-ethoxy benzaldehyde,3-ethoxybenzaldehdye,pubchem13132,acmc-209fzo,intermediates-zcf02615,3-ethoxybenzaldehyde PubChem CID: 89908 IUPAC Name: 3-ethoxybenzaldehyde SMILES: CCOC1=CC=CC(=C1)C=O
| PubChem CID | 89908 |
|---|---|
| CAS | 22924-15-8 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00016606 |
| SMILES | CCOC1=CC=CC(=C1)C=O |
| Synonym | m-ethoxybenzaldehyde,benzaldehyde, 3-ethoxy,3-ethoxy-benzaldehyde,benzaldehyde, m-ethoxy,3-ethoxy benzaldehyde,3-ethoxybenzaldehdye,pubchem13132,acmc-209fzo,intermediates-zcf02615,3-ethoxybenzaldehyde |
| IUPAC Name | 3-ethoxybenzaldehyde |
| InChI Key | QZMGMXBYJZVAJN-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
1,5-Pentanediol 97.0+%, TCI America™
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CAS: 111-29-5 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00002978 InChI Key: ALQSHHUCVQOPAS-UHFFFAOYSA-N Synonym: 1,5-pentanediol,1,5-dihydroxypentane,pentylene glycol,pentamethylene glycol,1,5-pentylene glycol,1,5 pentanediol,1,5-pentamethylene glycol,alpha,omega-pentanediol,unii-07uxz0scst,1,5-pentandiol PubChem CID: 8105 IUPAC Name: pentane-1,5-diol SMILES: OCCCCCO
| PubChem CID | 8105 |
|---|---|
| CAS | 111-29-5 |
| Molecular Weight (g/mol) | 104.15 |
| MDL Number | MFCD00002978 |
| SMILES | OCCCCCO |
| Synonym | 1,5-pentanediol,1,5-dihydroxypentane,pentylene glycol,pentamethylene glycol,1,5-pentylene glycol,1,5 pentanediol,1,5-pentamethylene glycol,alpha,omega-pentanediol,unii-07uxz0scst,1,5-pentandiol |
| IUPAC Name | pentane-1,5-diol |
| InChI Key | ALQSHHUCVQOPAS-UHFFFAOYSA-N |
| Molecular Formula | C5H12O2 |