Organooxygen compounds
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3-(2-bromo-5-methoxyphenyl)-3-oxopropanenitrile, Thermo Scientific™
CAS: 175136-65-9 Molecular Formula: C10H8BrNO2 Molecular Weight (g/mol): 254.083 InChI Key: NVZISNDFOXXQSQ-UHFFFAOYSA-N Synonym: 3-2-bromo-5-methoxyphenyl-3-oxopropanenitrile,maybridge1_002847,3-2-bromo-5-methoxy-phenyl-3-oxo-propanenitrile PubChem CID: 2804251 IUPAC Name: 3-(2-bromo-5-methoxyphenyl)-3-oxopropanenitrile SMILES: COC1=CC(=C(C=C1)Br)C(=O)CC#N
| PubChem CID | 2804251 |
|---|---|
| CAS | 175136-65-9 |
| Molecular Weight (g/mol) | 254.083 |
| SMILES | COC1=CC(=C(C=C1)Br)C(=O)CC#N |
| Synonym | 3-2-bromo-5-methoxyphenyl-3-oxopropanenitrile,maybridge1_002847,3-2-bromo-5-methoxy-phenyl-3-oxo-propanenitrile |
| IUPAC Name | 3-(2-bromo-5-methoxyphenyl)-3-oxopropanenitrile |
| InChI Key | NVZISNDFOXXQSQ-UHFFFAOYSA-N |
| Molecular Formula | C10H8BrNO2 |
Methyl 4-(1-hydroxyethyl)benzoate, 90%, tech.
CAS: 79322-76-2 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.2 MDL Number: MFCD00216476 InChI Key: KAXLTAULVFFCNL-UHFFFAOYSA-N PubChem CID: 586417 IUPAC Name: methyl 4-(1-hydroxyethyl)benzoate SMILES: CC(C1=CC=C(C=C1)C(=O)OC)O
| PubChem CID | 586417 |
|---|---|
| CAS | 79322-76-2 |
| Molecular Weight (g/mol) | 180.2 |
| MDL Number | MFCD00216476 |
| SMILES | CC(C1=CC=C(C=C1)C(=O)OC)O |
| IUPAC Name | methyl 4-(1-hydroxyethyl)benzoate |
| InChI Key | KAXLTAULVFFCNL-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
3-(1,4-Cyclohexadien-1-yl)-1-propanol, 97%
CAS: 87151-66-4 Molecular Formula: C9H14O Molecular Weight (g/mol): 138.21 MDL Number: MFCD12407081 InChI Key: DJJNAQALDCPMOU-UHFFFAOYSA-N Synonym: 3-1,4-cyclohexadien-1-yl-1-propanol,3-cyclohexa-1,4-dien-1-yl propan-1-ol,3-1,4-cyclohexadienyl propan-1-ol,3-3-hydroxypropyl-1,4-cyclohexadiene PubChem CID: 20402847 IUPAC Name: 3-cyclohexa-1,4-dien-1-ylpropan-1-ol SMILES: C1C=CCC(=C1)CCCO
| PubChem CID | 20402847 |
|---|---|
| CAS | 87151-66-4 |
| Molecular Weight (g/mol) | 138.21 |
| MDL Number | MFCD12407081 |
| SMILES | C1C=CCC(=C1)CCCO |
| Synonym | 3-1,4-cyclohexadien-1-yl-1-propanol,3-cyclohexa-1,4-dien-1-yl propan-1-ol,3-1,4-cyclohexadienyl propan-1-ol,3-3-hydroxypropyl-1,4-cyclohexadiene |
| IUPAC Name | 3-cyclohexa-1,4-dien-1-ylpropan-1-ol |
| InChI Key | DJJNAQALDCPMOU-UHFFFAOYSA-N |
| Molecular Formula | C9H14O |
alpha-Hydroxyacetophenone, 97%
CAS: 582-24-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00041829 InChI Key: ZWVHTXAYIKBMEE-UHFFFAOYSA-N Synonym: 2-hydroxyacetophenone,benzoylcarbinol,glycolophenone,phenacyl alcohol,alpha-hydroxyacetophenone,2-hydroxy-1-phenylethan-1-one,ethanone, 2-hydroxy-1-phenyl,methanol, benzoyl,omega-hydroxyacetophenone,acetophenone, 2-hydroxy PubChem CID: 68490 ChEBI: CHEBI:28341 IUPAC Name: 2-hydroxy-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)CO
| PubChem CID | 68490 |
|---|---|
| CAS | 582-24-1 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:28341 |
| MDL Number | MFCD00041829 |
| SMILES | C1=CC=C(C=C1)C(=O)CO |
| Synonym | 2-hydroxyacetophenone,benzoylcarbinol,glycolophenone,phenacyl alcohol,alpha-hydroxyacetophenone,2-hydroxy-1-phenylethan-1-one,ethanone, 2-hydroxy-1-phenyl,methanol, benzoyl,omega-hydroxyacetophenone,acetophenone, 2-hydroxy |
| IUPAC Name | 2-hydroxy-1-phenylethanone |
| InChI Key | ZWVHTXAYIKBMEE-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
Cyclopentanemethanol, 98%
CAS: 3637-61-4 Molecular Formula: C6H12O Molecular Weight (g/mol): 100.161 MDL Number: MFCD00001384 InChI Key: ISQVBYGGNVVVHB-UHFFFAOYSA-N Synonym: cyclopentanemethanol,cyclopentyl-methanol,cyclopentylcarbinol,cyclopentylmethyl alcohol,cyclopentanmethanol,cylcopentanemethanol,cyclopentan-methanol,cyclopentyl methanol,cyclopentyl carbinol,cyclo-pentanemethanol PubChem CID: 77195 IUPAC Name: cyclopentylmethanol SMILES: C1CCC(C1)CO
| PubChem CID | 77195 |
|---|---|
| CAS | 3637-61-4 |
| Molecular Weight (g/mol) | 100.161 |
| MDL Number | MFCD00001384 |
| SMILES | C1CCC(C1)CO |
| Synonym | cyclopentanemethanol,cyclopentyl-methanol,cyclopentylcarbinol,cyclopentylmethyl alcohol,cyclopentanmethanol,cylcopentanemethanol,cyclopentan-methanol,cyclopentyl methanol,cyclopentyl carbinol,cyclo-pentanemethanol |
| IUPAC Name | cyclopentylmethanol |
| InChI Key | ISQVBYGGNVVVHB-UHFFFAOYSA-N |
| Molecular Formula | C6H12O |
Isopropyl glycolate, 96%
CAS: 623-61-0 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.132 MDL Number: MFCD00046747 InChI Key: AZKIQQBSVTWCGY-UHFFFAOYSA-N Synonym: isopropyl glycolate,isopropyl 2-hydroxyacetate,isopropyl hydroxyacetate,2-hydroxyacetic acid isopropyl ester,acetic acid, hydroxy-, 1-methylethyl ester,isopropylglycolate,acmc-209x9i,glycolic acid isopropyl ester,ksc614s5p,hydroxy-acetic acid isopropyl ester PubChem CID: 69338 IUPAC Name: propan-2-yl 2-hydroxyacetate SMILES: CC(C)OC(=O)CO
| PubChem CID | 69338 |
|---|---|
| CAS | 623-61-0 |
| Molecular Weight (g/mol) | 118.132 |
| MDL Number | MFCD00046747 |
| SMILES | CC(C)OC(=O)CO |
| Synonym | isopropyl glycolate,isopropyl 2-hydroxyacetate,isopropyl hydroxyacetate,2-hydroxyacetic acid isopropyl ester,acetic acid, hydroxy-, 1-methylethyl ester,isopropylglycolate,acmc-209x9i,glycolic acid isopropyl ester,ksc614s5p,hydroxy-acetic acid isopropyl ester |
| IUPAC Name | propan-2-yl 2-hydroxyacetate |
| InChI Key | AZKIQQBSVTWCGY-UHFFFAOYSA-N |
| Molecular Formula | C5H10O3 |
2-Bromo-1-[4-(trifluoromethoxy)phenyl]ethan-1-one, 97%, Thermo Scientific™
CAS: 103962-10-3 Molecular Formula: C9H6BrF3O2 Molecular Weight (g/mol): 283.044 MDL Number: MFCD00052333 InChI Key: AOAGGWLQIILIIV-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy phenacyl bromide,2-bromo-1-4-trifluoromethoxy phenyl ethanone,2-bromo-4'-trifluoromethoxy acetophenone,2-bromo-1-4-trifluoromethoxy phenyl ethan-1-one,2-bromo-4'-trifluoromethoxyacetophenone,2-bromo-1-4-trifluoromethoxy-phenyl-ethanone,p-trifluoromethoxy phenacyl bromide,1-4-trifluoromethoxyphenyl-2-bromoethan-1-one,ethanone,2-bromo-1-4-trifluoromethoxy phenyl PubChem CID: 2778691 IUPAC Name: 2-bromo-1-[4-(trifluoromethoxy)phenyl]ethanone SMILES: C1=CC(=CC=C1C(=O)CBr)OC(F)(F)F
| PubChem CID | 2778691 |
|---|---|
| CAS | 103962-10-3 |
| Molecular Weight (g/mol) | 283.044 |
| MDL Number | MFCD00052333 |
| SMILES | C1=CC(=CC=C1C(=O)CBr)OC(F)(F)F |
| Synonym | 4-trifluoromethoxy phenacyl bromide,2-bromo-1-4-trifluoromethoxy phenyl ethanone,2-bromo-4'-trifluoromethoxy acetophenone,2-bromo-1-4-trifluoromethoxy phenyl ethan-1-one,2-bromo-4'-trifluoromethoxyacetophenone,2-bromo-1-4-trifluoromethoxy-phenyl-ethanone,p-trifluoromethoxy phenacyl bromide,1-4-trifluoromethoxyphenyl-2-bromoethan-1-one,ethanone,2-bromo-1-4-trifluoromethoxy phenyl |
| IUPAC Name | 2-bromo-1-[4-(trifluoromethoxy)phenyl]ethanone |
| InChI Key | AOAGGWLQIILIIV-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrF3O2 |
4-Bromo-1-indanone, 97%
CAS: 15115-60-3 Molecular Formula: C9H7BrO Molecular Weight (g/mol): 211.06 MDL Number: MFCD01719772 InChI Key: UVVYFYLSZIMKMC-UHFFFAOYSA-N Synonym: 4-bromo-1-indanone,4-bromo-indan-1-one,4-bromoindan-1-one,4-bromo-2,3-dihydro-1h-inden-1-one,1-indanone, 4-bromo,4-bromohydrindone-1,1h-inden-1-one, 4-bromo-2,3-dihydro,4-bromoindanone,4-bromo indanone,4-bromo-indanone PubChem CID: 98713 IUPAC Name: 4-bromo-2,3-dihydroinden-1-one SMILES: BrC1=CC=CC2=C1CCC2=O
| PubChem CID | 98713 |
|---|---|
| CAS | 15115-60-3 |
| Molecular Weight (g/mol) | 211.06 |
| MDL Number | MFCD01719772 |
| SMILES | BrC1=CC=CC2=C1CCC2=O |
| Synonym | 4-bromo-1-indanone,4-bromo-indan-1-one,4-bromoindan-1-one,4-bromo-2,3-dihydro-1h-inden-1-one,1-indanone, 4-bromo,4-bromohydrindone-1,1h-inden-1-one, 4-bromo-2,3-dihydro,4-bromoindanone,4-bromo indanone,4-bromo-indanone |
| IUPAC Name | 4-bromo-2,3-dihydroinden-1-one |
| InChI Key | UVVYFYLSZIMKMC-UHFFFAOYSA-N |
| Molecular Formula | C9H7BrO |
2-(2-Butoxyethoxy)ethyl Acetate, BAKER™, J.T. Baker™
CAS: 124-17-4 Molecular Formula: C10H20O4 Molecular Weight (g/mol): 204.266 InChI Key: VXQBJTKSVGFQOL-UHFFFAOYSA-N Synonym: 2-2-butoxyethoxy ethyl acetate,butoxyethoxyethyl acetate,diethylene glycol monobutyl ether acetate,butyl diglycol acetate,butyl carbitol acetate,ektasolve db acetate,2-2-butoxyethoxy ethanol acetate,butyl diethylene glycol acetate,butylkarbitolacetat,diglycol monobutyl ether acetate PubChem CID: 31288 IUPAC Name: 2-(2-butoxyethoxy)ethyl acetate SMILES: CCCCOCCOCCOC(=O)C
| PubChem CID | 31288 |
|---|---|
| CAS | 124-17-4 |
| Molecular Weight (g/mol) | 204.266 |
| SMILES | CCCCOCCOCCOC(=O)C |
| Synonym | 2-2-butoxyethoxy ethyl acetate,butoxyethoxyethyl acetate,diethylene glycol monobutyl ether acetate,butyl diglycol acetate,butyl carbitol acetate,ektasolve db acetate,2-2-butoxyethoxy ethanol acetate,butyl diethylene glycol acetate,butylkarbitolacetat,diglycol monobutyl ether acetate |
| IUPAC Name | 2-(2-butoxyethoxy)ethyl acetate |
| InChI Key | VXQBJTKSVGFQOL-UHFFFAOYSA-N |
| Molecular Formula | C10H20O4 |
2-Butoxyethanol, BAKER™, J.T. Baker™
CAS: 111-76-2 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.18 MDL Number: MFCD00002884 InChI Key: POAOYUHQDCAZBD-UHFFFAOYSA-N Synonym: butoxyethanol,butyl glycol,butyl cellosolve,ethylene glycol monobutyl ether,n-butoxyethanol,ethanol, 2-butoxy,ethylene glycol butyl ether,butyl oxitol,glycol butyl ether,glycol ether eb PubChem CID: 8133 ChEBI: CHEBI:63921 SMILES: CCCCOCCO
| PubChem CID | 8133 |
|---|---|
| CAS | 111-76-2 |
| Molecular Weight (g/mol) | 118.18 |
| ChEBI | CHEBI:63921 |
| MDL Number | MFCD00002884 |
| SMILES | CCCCOCCO |
| Synonym | butoxyethanol,butyl glycol,butyl cellosolve,ethylene glycol monobutyl ether,n-butoxyethanol,ethanol, 2-butoxy,ethylene glycol butyl ether,butyl oxitol,glycol butyl ether,glycol ether eb |
| InChI Key | POAOYUHQDCAZBD-UHFFFAOYSA-N |
| Molecular Formula | C6H14O2 |
3,5-Dimethoxybenzaldehyde, 98%
CAS: 7311-34-4 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00003366 InChI Key: VFZRZRDOXPRTSC-UHFFFAOYSA-N Synonym: 3,5-dimethoxy-benzaldehyde,benzaldehyde, 3,5-dimethoxy,3,5-dimethoxybenzaldehyd,pubchem2645,3,5 dimethoxybenzaldehyde,acmc-1bhx6,3,5 dimethoxylbenzaldehyde,3,5 dimethoxy benzaldehyde,3,5-dimethoxy benzaldehyde,ghl.pd_mitscher_leg0.694 PubChem CID: 81747 IUPAC Name: 3,5-dimethoxybenzaldehyde SMILES: COC1=CC(C=O)=CC(OC)=C1
| PubChem CID | 81747 |
|---|---|
| CAS | 7311-34-4 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00003366 |
| SMILES | COC1=CC(C=O)=CC(OC)=C1 |
| Synonym | 3,5-dimethoxy-benzaldehyde,benzaldehyde, 3,5-dimethoxy,3,5-dimethoxybenzaldehyd,pubchem2645,3,5 dimethoxybenzaldehyde,acmc-1bhx6,3,5 dimethoxylbenzaldehyde,3,5 dimethoxy benzaldehyde,3,5-dimethoxy benzaldehyde,ghl.pd_mitscher_leg0.694 |
| IUPAC Name | 3,5-dimethoxybenzaldehyde |
| InChI Key | VFZRZRDOXPRTSC-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
Thermo Scientific Chemicals D(+)-Maltose monohydrate, 92+%
CAS: 6363-53-7 Molecular Formula: C12H24O12 Molecular Weight (g/mol): 360.31 MDL Number: MFCD00149343 InChI Key: HBDJFVFTHLOSDW-UHFFFAOYNA-N Synonym: d-+-maltose monohydrate,unii-dm477ee40d,2r,3r,4r,5r-2,3,5,6-tetrahydroxy-4-2r,3r,4s,5s,6r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy hexanal hydrate,beta-maltose monohydrate,d-+-maltosemonohydrate,69-79-4 anhydrous,d +-maltose monohydrate,d-+-maltose monohydrate, puriss.,d-+-maltose monohydrate, analytical standard,d-+-maltose monohydrate, bioxtra IUPAC Name: 2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate SMILES: O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O
| CAS | 6363-53-7 |
|---|---|
| Molecular Weight (g/mol) | 360.31 |
| MDL Number | MFCD00149343 |
| SMILES | O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O |
| Synonym | d-+-maltose monohydrate,unii-dm477ee40d,2r,3r,4r,5r-2,3,5,6-tetrahydroxy-4-2r,3r,4s,5s,6r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy hexanal hydrate,beta-maltose monohydrate,d-+-maltosemonohydrate,69-79-4 anhydrous,d +-maltose monohydrate,d-+-maltose monohydrate, puriss.,d-+-maltose monohydrate, analytical standard,d-+-maltose monohydrate, bioxtra |
| IUPAC Name | 2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate |
| InChI Key | HBDJFVFTHLOSDW-UHFFFAOYNA-N |
| Molecular Formula | C12H24O12 |
Glutaraldehyde, 25% aqueous solution, MP Biomedicals™
CAS: 111-30-8 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00007025 InChI Key: SXRSQZLOMIGNAQ-UHFFFAOYSA-N Synonym: glutaraldehyde,glutaral,glutaric dialdehyde,cidex,glutardialdehyde,1,5-pentanedial,sonacide,glutarol,aldesan,glutaric aldehyde PubChem CID: 3485 ChEBI: CHEBI:64276 IUPAC Name: pentanedial SMILES: O=CCCCC=O
| PubChem CID | 3485 |
|---|---|
| CAS | 111-30-8 |
| Molecular Weight (g/mol) | 100.12 |
| ChEBI | CHEBI:64276 |
| MDL Number | MFCD00007025 |
| SMILES | O=CCCCC=O |
| Synonym | glutaraldehyde,glutaral,glutaric dialdehyde,cidex,glutardialdehyde,1,5-pentanedial,sonacide,glutarol,aldesan,glutaric aldehyde |
| IUPAC Name | pentanedial |
| InChI Key | SXRSQZLOMIGNAQ-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |
4-Hydroxy-2-methoxybenzaldehyde, 98%
CAS: 18278-34-7 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00051964 InChI Key: WBIZZNFQJPOKDK-UHFFFAOYSA-N Synonym: 4-hydroxy-o-anisaldehyde,benzaldehyde, 4-hydroxy-2-methoxy,4-hydroxyl-2-methoxyl benzaldehyde,4-formyl-3-methoxyphenol,2-formyl-5-hydroxyanisole,4-hydroxy-2-methoxybenaldehyde,4-hydroxy-2-methoxybenzaldehdye,pubchem8130,acmc-209eju,argogel-mb-cho PubChem CID: 519541 IUPAC Name: 4-hydroxy-2-methoxybenzaldehyde SMILES: COC1=CC(O)=CC=C1C=O
| PubChem CID | 519541 |
|---|---|
| CAS | 18278-34-7 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00051964 |
| SMILES | COC1=CC(O)=CC=C1C=O |
| Synonym | 4-hydroxy-o-anisaldehyde,benzaldehyde, 4-hydroxy-2-methoxy,4-hydroxyl-2-methoxyl benzaldehyde,4-formyl-3-methoxyphenol,2-formyl-5-hydroxyanisole,4-hydroxy-2-methoxybenaldehyde,4-hydroxy-2-methoxybenzaldehdye,pubchem8130,acmc-209eju,argogel-mb-cho |
| IUPAC Name | 4-hydroxy-2-methoxybenzaldehyde |
| InChI Key | WBIZZNFQJPOKDK-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
2,3-Dihydro-1-benzofuran-7-carbaldehyde, 97%, Thermo Scientific™
CAS: 196799-45-8 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD06200853 InChI Key: CLXXUGOCVBQNAI-UHFFFAOYSA-N Synonym: 2,3-dihydrobenzofuran-7-carbaldehyde,2,3-dihydrobenzofuran-7-carboxaldehyde,7-benzofurancarboxaldehyde, 2,3-dihydro,2,3-dihydrobenzo b furan-7-carbaldehyde,7-formyl-2,3-dihydrobenzofuran,2,3-dihydobenzo b furan-7-aldehyde,2,3-dihydro-benzofuran-7-carbaldehyde,2,3-dihydro-benzofuran-7-carboxaldehyde,2.3-dihydro-benzofuran-7-carboxaldehyde,2,3-dihydrobenzo b furan-7-carboxaldehyde PubChem CID: 2795018 IUPAC Name: 2,3-dihydro-1-benzofuran-7-carbaldehyde SMILES: C1COC2=C(C=CC=C21)C=O
| PubChem CID | 2795018 |
|---|---|
| CAS | 196799-45-8 |
| Molecular Weight (g/mol) | 148.161 |
| MDL Number | MFCD06200853 |
| SMILES | C1COC2=C(C=CC=C21)C=O |
| Synonym | 2,3-dihydrobenzofuran-7-carbaldehyde,2,3-dihydrobenzofuran-7-carboxaldehyde,7-benzofurancarboxaldehyde, 2,3-dihydro,2,3-dihydrobenzo b furan-7-carbaldehyde,7-formyl-2,3-dihydrobenzofuran,2,3-dihydobenzo b furan-7-aldehyde,2,3-dihydro-benzofuran-7-carbaldehyde,2,3-dihydro-benzofuran-7-carboxaldehyde,2.3-dihydro-benzofuran-7-carboxaldehyde,2,3-dihydrobenzo b furan-7-carboxaldehyde |
| IUPAC Name | 2,3-dihydro-1-benzofuran-7-carbaldehyde |
| InChI Key | CLXXUGOCVBQNAI-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |