Organooxygen compounds
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Methyl 4-formylbenzoate, 98+%
CAS: 1571-08-0 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00006950 InChI Key: FEIOASZZURHTHB-UHFFFAOYSA-N Synonym: methyl p-formylbenzoate,4-carbomethoxybenzaldehyde,methyl terephthalaldehydate,4-methoxycarbonyl benzaldehyde,benzoic acid, 4-formyl-, methyl ester,p-carbomethoxybenzaldehyde,methyl terephthaldehydate,methyl4-formylbenzoate,4-formylbenzoic acid methyl ester,methyl-p-formyl benzoate PubChem CID: 15294 IUPAC Name: methyl 4-formylbenzoate SMILES: COC(=O)C1=CC=C(C=O)C=C1
| PubChem CID | 15294 |
|---|---|
| CAS | 1571-08-0 |
| Molecular Weight (g/mol) | 164.16 |
| MDL Number | MFCD00006950 |
| SMILES | COC(=O)C1=CC=C(C=O)C=C1 |
| Synonym | methyl p-formylbenzoate,4-carbomethoxybenzaldehyde,methyl terephthalaldehydate,4-methoxycarbonyl benzaldehyde,benzoic acid, 4-formyl-, methyl ester,p-carbomethoxybenzaldehyde,methyl terephthaldehydate,methyl4-formylbenzoate,4-formylbenzoic acid methyl ester,methyl-p-formyl benzoate |
| IUPAC Name | methyl 4-formylbenzoate |
| InChI Key | FEIOASZZURHTHB-UHFFFAOYSA-N |
| Molecular Formula | C9H8O3 |
2-Bromo-4'-phenylacetophenone, 97%
CAS: 135-73-9 Molecular Formula: C14H11BrO Molecular Weight (g/mol): 275.145 MDL Number: MFCD00000202 InChI Key: KGHGZRVXCKCJGX-UHFFFAOYSA-N Synonym: 2-bromo-4'-phenylacetophenone,4-phenylphenacyl bromide,p-bromoacetylbiphenyl,p-phenylphenacyl bromide,bromomethyl p-biphenylyl ketone,ethanone, 1-1,1'-biphenyl-4-yl-2-bromo,2-bromo-1-4-phenylphenyl ethan-1-one,acetophenone, 2-bromo-4'-phenyl,alpha-bromo-p-phenylacetophenone,omega-bromo-4-phenylacetophenone PubChem CID: 67282 IUPAC Name: 2-bromo-1-(4-phenylphenyl)ethanone SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CBr
| PubChem CID | 67282 |
|---|---|
| CAS | 135-73-9 |
| Molecular Weight (g/mol) | 275.145 |
| MDL Number | MFCD00000202 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CBr |
| Synonym | 2-bromo-4'-phenylacetophenone,4-phenylphenacyl bromide,p-bromoacetylbiphenyl,p-phenylphenacyl bromide,bromomethyl p-biphenylyl ketone,ethanone, 1-1,1'-biphenyl-4-yl-2-bromo,2-bromo-1-4-phenylphenyl ethan-1-one,acetophenone, 2-bromo-4'-phenyl,alpha-bromo-p-phenylacetophenone,omega-bromo-4-phenylacetophenone |
| IUPAC Name | 2-bromo-1-(4-phenylphenyl)ethanone |
| InChI Key | KGHGZRVXCKCJGX-UHFFFAOYSA-N |
| Molecular Formula | C14H11BrO |
2-Bromo-2'-hydroxyacetophenone, 97%
CAS: 2491-36-3 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD01727570 InChI Key: SGPKEYSZPHMVNI-UHFFFAOYSA-N PubChem CID: 200671 IUPAC Name: 2-bromo-1-(2-hydroxyphenyl)ethanone SMILES: C1=CC=C(C(=C1)C(=O)CBr)O
| PubChem CID | 200671 |
|---|---|
| CAS | 2491-36-3 |
| Molecular Weight (g/mol) | 215.046 |
| MDL Number | MFCD01727570 |
| SMILES | C1=CC=C(C(=C1)C(=O)CBr)O |
| IUPAC Name | 2-bromo-1-(2-hydroxyphenyl)ethanone |
| InChI Key | SGPKEYSZPHMVNI-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
(R)-(-)-4-Methylmandelic acid, ChiPros∣r, 98%, ee 97+%
CAS: 31284-89-6 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00798433,MFCD00961860 InChI Key: SFGURAWGCAPHON-UHFFFAOYNA-N Synonym: 2-hydroxy-2-4-methylphenyl acetic acid,4-methylmandelic acid,p-methyl mandelic acid,2-hydroxy-2-p-tolyl acetic acid,hydroxy 4-methylphenyl acetic acid,hydroxy-p-tolyl-acetic acid,p-methylmandelic acid,4-methylmaldelic acid,p-methyl-mandelic acid,acmc-1afsj PubChem CID: 12458823 IUPAC Name: (2R)-2-hydroxy-2-(4-methylphenyl)acetic acid SMILES: CC1=CC=C(C=C1)C(O)C(O)=O
| PubChem CID | 12458823 |
|---|---|
| CAS | 31284-89-6 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00798433,MFCD00961860 |
| SMILES | CC1=CC=C(C=C1)C(O)C(O)=O |
| Synonym | 2-hydroxy-2-4-methylphenyl acetic acid,4-methylmandelic acid,p-methyl mandelic acid,2-hydroxy-2-p-tolyl acetic acid,hydroxy 4-methylphenyl acetic acid,hydroxy-p-tolyl-acetic acid,p-methylmandelic acid,4-methylmaldelic acid,p-methyl-mandelic acid,acmc-1afsj |
| IUPAC Name | (2R)-2-hydroxy-2-(4-methylphenyl)acetic acid |
| InChI Key | SFGURAWGCAPHON-UHFFFAOYNA-N |
| Molecular Formula | C9H10O3 |
1-Amino-4-hydroxyanthraquinone, 96%
CAS: 116-85-8 Molecular Formula: C14H9NO3 Molecular Weight (g/mol): 239.23 MDL Number: MFCD00001223 InChI Key: AQXYVFBSOOBBQV-UHFFFAOYSA-N Synonym: 1-amino-4-hydroxyanthraquinone,disperse red 15,calcosyn pink b,celutate pink b,nacelan pink b,amacel pink b,celutate pink bn,celutate pink by,cibacete red 3b,disperse red 2s PubChem CID: 8323 IUPAC Name: 1-amino-4-hydroxyanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)N
| PubChem CID | 8323 |
|---|---|
| CAS | 116-85-8 |
| Molecular Weight (g/mol) | 239.23 |
| MDL Number | MFCD00001223 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)N |
| Synonym | 1-amino-4-hydroxyanthraquinone,disperse red 15,calcosyn pink b,celutate pink b,nacelan pink b,amacel pink b,celutate pink bn,celutate pink by,cibacete red 3b,disperse red 2s |
| IUPAC Name | 1-amino-4-hydroxyanthracene-9,10-dione |
| InChI Key | AQXYVFBSOOBBQV-UHFFFAOYSA-N |
| Molecular Formula | C14H9NO3 |
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 |
2-Propionylfuran, 97%
CAS: 3194-15-8 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00020936 InChI Key: HCPORNAVHSWTOJ-UHFFFAOYSA-N Synonym: 2-propionylfuran,1-2-furyl propan-1-one,1-furan-2-yl propan-1-one,1-propanone, 1-2-furanyl,2-furyl ethyl ketone,ethyl 2-furyl ketone,furyl ethyl ketone,1-propanone, 1-2-furyl,ethyl furyl ketone,2-propanoylfuran PubChem CID: 76662 IUPAC Name: 1-(furan-2-yl)propan-1-one SMILES: CCC(=O)C1=CC=CO1
| PubChem CID | 76662 |
|---|---|
| CAS | 3194-15-8 |
| Molecular Weight (g/mol) | 124.14 |
| MDL Number | MFCD00020936 |
| SMILES | CCC(=O)C1=CC=CO1 |
| Synonym | 2-propionylfuran,1-2-furyl propan-1-one,1-furan-2-yl propan-1-one,1-propanone, 1-2-furanyl,2-furyl ethyl ketone,ethyl 2-furyl ketone,furyl ethyl ketone,1-propanone, 1-2-furyl,ethyl furyl ketone,2-propanoylfuran |
| IUPAC Name | 1-(furan-2-yl)propan-1-one |
| InChI Key | HCPORNAVHSWTOJ-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2 |
3-Methyl-1H-pyrazole-4-carboxaldehyde, 97%
CAS: 112758-40-4 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD01313822 InChI Key: NWDMGTFNIOCVDU-UHFFFAOYSA-N Synonym: 3-methyl-1h-pyrazole-4-carbaldehyde,3-methyl-1h-pyrazole-4-carboxaldehyde,3-methylpyrazole-4-carboxaldehyde,3-methylpyrazole-4-carbaldehyde,1h-pyrazole-4-carboxaldehyde, 3-methyl,3-methyl-2h-pyrazole-4-carbaldehyde,5-methylpyrazole-4-carbaldehyde,pubchem16065,acmc-1brby,4-formyl-3-methylpyrazole PubChem CID: 2760056 IUPAC Name: 5-methyl-1H-pyrazole-4-carbaldehyde SMILES: CC1=C(C=O)C=NN1
| PubChem CID | 2760056 |
|---|---|
| CAS | 112758-40-4 |
| Molecular Weight (g/mol) | 110.12 |
| MDL Number | MFCD01313822 |
| SMILES | CC1=C(C=O)C=NN1 |
| Synonym | 3-methyl-1h-pyrazole-4-carbaldehyde,3-methyl-1h-pyrazole-4-carboxaldehyde,3-methylpyrazole-4-carboxaldehyde,3-methylpyrazole-4-carbaldehyde,1h-pyrazole-4-carboxaldehyde, 3-methyl,3-methyl-2h-pyrazole-4-carbaldehyde,5-methylpyrazole-4-carbaldehyde,pubchem16065,acmc-1brby,4-formyl-3-methylpyrazole |
| IUPAC Name | 5-methyl-1H-pyrazole-4-carbaldehyde |
| InChI Key | NWDMGTFNIOCVDU-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O |
2,2-Difluorocyclopropanemethanol, 97%
CAS: 509072-57-5 Molecular Formula: C4H6F2O Molecular Weight (g/mol): 108.088 MDL Number: MFCD06797748 InChI Key: XOLSMTBBIZDHSG-UHFFFAOYSA-N Synonym: 2,2-difluorocyclopropyl methanol,2,2-difluorocyclopropanemethanol,2,2-difluorocyclopropyl-methanol, 97+%,soqdfiarbswxuup@,2,2-difluoro-cyclopropanemethanol,2,2-difluorocyclopropyl-methanol,2,2-difluoro-cyclopropyl-methanol,cyclopropanemethanol, 2,2-difluoro PubChem CID: 2761401 IUPAC Name: (2,2-difluorocyclopropyl)methanol SMILES: C1C(C1(F)F)CO
| PubChem CID | 2761401 |
|---|---|
| CAS | 509072-57-5 |
| Molecular Weight (g/mol) | 108.088 |
| MDL Number | MFCD06797748 |
| SMILES | C1C(C1(F)F)CO |
| Synonym | 2,2-difluorocyclopropyl methanol,2,2-difluorocyclopropanemethanol,2,2-difluorocyclopropyl-methanol, 97+%,soqdfiarbswxuup@,2,2-difluoro-cyclopropanemethanol,2,2-difluorocyclopropyl-methanol,2,2-difluoro-cyclopropyl-methanol,cyclopropanemethanol, 2,2-difluoro |
| IUPAC Name | (2,2-difluorocyclopropyl)methanol |
| InChI Key | XOLSMTBBIZDHSG-UHFFFAOYSA-N |
| Molecular Formula | C4H6F2O |
7-Bromo-1-heptanol, 96%
CAS: 10160-24-4 Molecular Formula: C7H15BrO Molecular Weight (g/mol): 195.1 MDL Number: MFCD00041708 InChI Key: MMXRRNUXCHUHOE-UHFFFAOYSA-N Synonym: 7-bromo-1-heptanol,1-heptanol, 7-bromo,7-bromoheptanol,7-bromoheptane-1-ol PubChem CID: 66284 IUPAC Name: 7-bromoheptan-1-ol SMILES: C(CCCO)CCCBr
| PubChem CID | 66284 |
|---|---|
| CAS | 10160-24-4 |
| Molecular Weight (g/mol) | 195.1 |
| MDL Number | MFCD00041708 |
| SMILES | C(CCCO)CCCBr |
| Synonym | 7-bromo-1-heptanol,1-heptanol, 7-bromo,7-bromoheptanol,7-bromoheptane-1-ol |
| IUPAC Name | 7-bromoheptan-1-ol |
| InChI Key | MMXRRNUXCHUHOE-UHFFFAOYSA-N |
| Molecular Formula | C7H15BrO |
2-Formylthiophene-4-boronic acid, 98%, Thermo Scientific™
CAS: 175592-59-3 Molecular Formula: C5H5BO3S Molecular Weight (g/mol): 155.962 MDL Number: MFCD03002365 InChI Key: ZCUFJAORCNFWOF-UHFFFAOYSA-N Synonym: 2-formylthiophene-4-boronic acid,5-formylthiophen-3-yl boronic acid,5-formylthiophene-3-boronic acid,5-formyl-3-thienyl boronic acid,4-borono-2-formylthiophene,5-formylthiophen-3-boronic acid,5-formyl-3-thienylboronic acid,5-formyl-3-thiopheneboronic acid,4-boronothiophene-2-carboxaldehyde,2-formyl-4-thiopheneboronic acid PubChem CID: 11084115 IUPAC Name: (5-formylthiophen-3-yl)boronic acid SMILES: B(C1=CSC(=C1)C=O)(O)O
| PubChem CID | 11084115 |
|---|---|
| CAS | 175592-59-3 |
| Molecular Weight (g/mol) | 155.962 |
| MDL Number | MFCD03002365 |
| SMILES | B(C1=CSC(=C1)C=O)(O)O |
| Synonym | 2-formylthiophene-4-boronic acid,5-formylthiophen-3-yl boronic acid,5-formylthiophene-3-boronic acid,5-formyl-3-thienyl boronic acid,4-borono-2-formylthiophene,5-formylthiophen-3-boronic acid,5-formyl-3-thienylboronic acid,5-formyl-3-thiopheneboronic acid,4-boronothiophene-2-carboxaldehyde,2-formyl-4-thiopheneboronic acid |
| IUPAC Name | (5-formylthiophen-3-yl)boronic acid |
| InChI Key | ZCUFJAORCNFWOF-UHFFFAOYSA-N |
| Molecular Formula | C5H5BO3S |
4-Allyl-1,6-heptadien-4-ol, 99%
CAS: 10202-75-2 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.237 MDL Number: MFCD00039829 InChI Key: SUXQWOWVXDXQSE-UHFFFAOYSA-N Synonym: 4-allyl-1,6-heptadien-4-ol,triallylcarbinol,4-allylhepta-1,6-dien-4-ol,4-allyl-1,6-heptadiene-4-ol,1,6-heptadien-4-ol, 4-2-propenyl,4-prop-2-en-1-yl hepta-1,6-dien-4-ol,triallyl carbinol,acmc-1byg9,4-allyl-hepta-1,6-dien-4-ol,1,6-heptadien-4-ol,4-2-propen-1-yl PubChem CID: 139107 IUPAC Name: 4-prop-2-enylhepta-1,6-dien-4-ol SMILES: C=CCC(CC=C)(CC=C)O
| PubChem CID | 139107 |
|---|---|
| CAS | 10202-75-2 |
| Molecular Weight (g/mol) | 152.237 |
| MDL Number | MFCD00039829 |
| SMILES | C=CCC(CC=C)(CC=C)O |
| Synonym | 4-allyl-1,6-heptadien-4-ol,triallylcarbinol,4-allylhepta-1,6-dien-4-ol,4-allyl-1,6-heptadiene-4-ol,1,6-heptadien-4-ol, 4-2-propenyl,4-prop-2-en-1-yl hepta-1,6-dien-4-ol,triallyl carbinol,acmc-1byg9,4-allyl-hepta-1,6-dien-4-ol,1,6-heptadien-4-ol,4-2-propen-1-yl |
| IUPAC Name | 4-prop-2-enylhepta-1,6-dien-4-ol |
| InChI Key | SUXQWOWVXDXQSE-UHFFFAOYSA-N |
| Molecular Formula | C10H16O |
2'-Acetoxyacetophenone, 98%
CAS: 7250-94-4 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00017223 InChI Key: WWEDAIJJBDFOOK-UHFFFAOYSA-N Synonym: 2'-acetoxyacetophenone,2-acetylphenyl acetate,ethanone, 1-2-acetyloxy phenyl,o-acetoxyacetophenone,2'-acetoxy acetophenone,maybridge1_002653,acmc-209on8,acetic acid 2-acetyl-phenyl ester,acetophenone, 2-hydroxy-, acetate 8ci PubChem CID: 16716 IUPAC Name: (2-acetylphenyl) acetate SMILES: CC(=O)OC1=CC=CC=C1C(C)=O
| PubChem CID | 16716 |
|---|---|
| CAS | 7250-94-4 |
| Molecular Weight (g/mol) | 178.19 |
| MDL Number | MFCD00017223 |
| SMILES | CC(=O)OC1=CC=CC=C1C(C)=O |
| Synonym | 2'-acetoxyacetophenone,2-acetylphenyl acetate,ethanone, 1-2-acetyloxy phenyl,o-acetoxyacetophenone,2'-acetoxy acetophenone,maybridge1_002653,acmc-209on8,acetic acid 2-acetyl-phenyl ester,acetophenone, 2-hydroxy-, acetate 8ci |
| IUPAC Name | (2-acetylphenyl) acetate |
| InChI Key | WWEDAIJJBDFOOK-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
(S)-(-)-1-Phenylethanol, 97+%
CAS: 1445-91-6 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00064264 InChI Key: WAPNOHKVXSQRPX-ZETCQYMHSA-N PubChem CID: 443135 ChEBI: CHEBI:16346 SMILES: C[C@H](O)C1=CC=CC=C1
| PubChem CID | 443135 |
|---|---|
| CAS | 1445-91-6 |
| Molecular Weight (g/mol) | 122.17 |
| ChEBI | CHEBI:16346 |
| MDL Number | MFCD00064264 |
| SMILES | C[C@H](O)C1=CC=CC=C1 |
| InChI Key | WAPNOHKVXSQRPX-ZETCQYMHSA-N |
| Molecular Formula | C8H10O |
4-(4-Fluorobenzoyl)piperidine hydrochloride, 98%
CAS: 25519-78-2 Molecular Formula: C12H15ClFNO Molecular Weight (g/mol): 243.71 MDL Number: MFCD00044912 InChI Key: GPKDBZQZPNOBGM-UHFFFAOYSA-N Synonym: 4-4-fluorobenzoyl piperidine hydrochloride,4-fluorophenyl piperidin-4-yl methanone hydrochloride,4-fluorophenyl 4-piperidinyl ketone hydrochloride,p-fluorophenyl 4-piperidyl ketone hydrochloride,4-fluorophenyl 4-piperidyl methanone hydrochloride,4-fluoro-phenyl-piperidin-4-yl-methanone hydrochloride,4-4-fluorobenzoyl piperidine hcl,4-p-fluorobenzoyl piperidine hydrochloride,4-4'-fluorobenzoyl piperidine hydrochloride,methanone, 4-fluorophenyl-4-piperidinyl-, hydrochloride PubChem CID: 3084438 IUPAC Name: (4-fluorophenyl)-piperidin-4-ylmethanone;hydrochloride SMILES: [H+].[Cl-].FC1=CC=C(C=C1)C(=O)C1CCNCC1
| PubChem CID | 3084438 |
|---|---|
| CAS | 25519-78-2 |
| Molecular Weight (g/mol) | 243.71 |
| MDL Number | MFCD00044912 |
| SMILES | [H+].[Cl-].FC1=CC=C(C=C1)C(=O)C1CCNCC1 |
| Synonym | 4-4-fluorobenzoyl piperidine hydrochloride,4-fluorophenyl piperidin-4-yl methanone hydrochloride,4-fluorophenyl 4-piperidinyl ketone hydrochloride,p-fluorophenyl 4-piperidyl ketone hydrochloride,4-fluorophenyl 4-piperidyl methanone hydrochloride,4-fluoro-phenyl-piperidin-4-yl-methanone hydrochloride,4-4-fluorobenzoyl piperidine hcl,4-p-fluorobenzoyl piperidine hydrochloride,4-4'-fluorobenzoyl piperidine hydrochloride,methanone, 4-fluorophenyl-4-piperidinyl-, hydrochloride |
| IUPAC Name | (4-fluorophenyl)-piperidin-4-ylmethanone;hydrochloride |
| InChI Key | GPKDBZQZPNOBGM-UHFFFAOYSA-N |
| Molecular Formula | C12H15ClFNO |