Organooxygen compounds
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(+/-)-Ethyl mandelate, 97%
CAS: 774-40-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00004494 InChI Key: SAXHIDRUJXPDOD-UHFFFAOYSA-N Synonym: ethyl mandelate,ethyl phenylglycolate,mandelic acid, ethyl ester,dl-mandelic acid ethyl ester,mandelic acid ethyl ester,ethyl dl-mandelate,mandelsaeureaethylester,ethyl hydroxy phenyl acetate,mandelsaeureaethylester german,+-ethyl mandelate PubChem CID: 13050 ChEBI: CHEBI:38750 IUPAC Name: ethyl 2-hydroxy-2-phenylacetate SMILES: CCOC(=O)C(C1=CC=CC=C1)O
| PubChem CID | 13050 |
|---|---|
| CAS | 774-40-3 |
| Molecular Weight (g/mol) | 180.203 |
| ChEBI | CHEBI:38750 |
| MDL Number | MFCD00004494 |
| SMILES | CCOC(=O)C(C1=CC=CC=C1)O |
| Synonym | ethyl mandelate,ethyl phenylglycolate,mandelic acid, ethyl ester,dl-mandelic acid ethyl ester,mandelic acid ethyl ester,ethyl dl-mandelate,mandelsaeureaethylester,ethyl hydroxy phenyl acetate,mandelsaeureaethylester german,+-ethyl mandelate |
| IUPAC Name | ethyl 2-hydroxy-2-phenylacetate |
| InChI Key | SAXHIDRUJXPDOD-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
2,2'-Furoin, 98%
CAS: 552-86-3 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00003246 InChI Key: MIJRFWVFNKQQDK-UHFFFAOYNA-N Synonym: furoin,2,2'-furoin,1,2-di furan-2-yl-2-hydroxyethanone,furoylfurylcarbinol,ethanone, 1,2-di-2-furanyl-2-hydroxy,alpha-furoin,.alpha.-furoin,ethanone, 1,2-di-2-furyl-2-hydroxy,1,2-bis furan-2-yl-2-hydroxyethan-1-one,1,2-di-2-furanyl-2-hydroxyethanone PubChem CID: 11100 IUPAC Name: 1,2-bis(furan-2-yl)-2-hydroxyethanone SMILES: OC(C(=O)C1=CC=CO1)C1=CC=CO1
| PubChem CID | 11100 |
|---|---|
| CAS | 552-86-3 |
| Molecular Weight (g/mol) | 192.17 |
| MDL Number | MFCD00003246 |
| SMILES | OC(C(=O)C1=CC=CO1)C1=CC=CO1 |
| Synonym | furoin,2,2'-furoin,1,2-di furan-2-yl-2-hydroxyethanone,furoylfurylcarbinol,ethanone, 1,2-di-2-furanyl-2-hydroxy,alpha-furoin,.alpha.-furoin,ethanone, 1,2-di-2-furyl-2-hydroxy,1,2-bis furan-2-yl-2-hydroxyethan-1-one,1,2-di-2-furanyl-2-hydroxyethanone |
| IUPAC Name | 1,2-bis(furan-2-yl)-2-hydroxyethanone |
| InChI Key | MIJRFWVFNKQQDK-UHFFFAOYNA-N |
| Molecular Formula | C10H8O4 |
2-Hydroxymethyl-15-crown-5, 98%
CAS: 75507-25-4 Molecular Formula: C11H22O6 Molecular Weight (g/mol): 250.291 MDL Number: MFCD00192215 InChI Key: YHIQMMGCRYKJLB-UHFFFAOYSA-N PubChem CID: 2733744 IUPAC Name: 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol SMILES: C1COCCOCC(OCCOCCO1)CO
| PubChem CID | 2733744 |
|---|---|
| CAS | 75507-25-4 |
| Molecular Weight (g/mol) | 250.291 |
| MDL Number | MFCD00192215 |
| SMILES | C1COCCOCC(OCCOCCO1)CO |
| IUPAC Name | 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol |
| InChI Key | YHIQMMGCRYKJLB-UHFFFAOYSA-N |
| Molecular Formula | C11H22O6 |
5-Bromo-2-isopropoxypyridine, 97%
CAS: 870521-31-6 Molecular Formula: C8H10BrNO Molecular Weight (g/mol): 216.08 MDL Number: MFCD07368869 InChI Key: FSZRSTNRZUIEMA-UHFFFAOYSA-N Synonym: 5-bromo-2-isopropoxypyridine,5-bromo-2-propan-2-yloxy pyridine,5-bromo-2-isopropoxy-pyridine,3-bromo-6-i-propoxy pyridine,pyridine, 5-bromo-2-1-methylethoxy,pubchem22060,acmc-209qd4,2-isopropoxy-5-bromo-pyridine,5-bromo-2-iso-propoxypyridine,5-bromo-2-isopropyloxypyridine PubChem CID: 21935068 IUPAC Name: 5-bromo-2-propan-2-yloxypyridine SMILES: CC(C)OC1=NC=C(Br)C=C1
| PubChem CID | 21935068 |
|---|---|
| CAS | 870521-31-6 |
| Molecular Weight (g/mol) | 216.08 |
| MDL Number | MFCD07368869 |
| SMILES | CC(C)OC1=NC=C(Br)C=C1 |
| Synonym | 5-bromo-2-isopropoxypyridine,5-bromo-2-propan-2-yloxy pyridine,5-bromo-2-isopropoxy-pyridine,3-bromo-6-i-propoxy pyridine,pyridine, 5-bromo-2-1-methylethoxy,pubchem22060,acmc-209qd4,2-isopropoxy-5-bromo-pyridine,5-bromo-2-iso-propoxypyridine,5-bromo-2-isopropyloxypyridine |
| IUPAC Name | 5-bromo-2-propan-2-yloxypyridine |
| InChI Key | FSZRSTNRZUIEMA-UHFFFAOYSA-N |
| Molecular Formula | C8H10BrNO |
3'-Chloropropiophenone, 98%
CAS: 34841-35-5 Molecular Formula: C9H9ClO Molecular Weight (g/mol): 168.62 MDL Number: MFCD00009925 InChI Key: PQWGFUFROKIJBO-UHFFFAOYSA-N Synonym: 3'-chloropropiophenone,1-3-chlorophenyl propan-1-one,m-chloropropiophenone,3-chlorophenyl ethyl ketone,1-propanone, 1-3-chlorophenyl,1-3-chloro-phenyl-propan-1-one,m-chloro-propiophenone,pubchem3083,3'-chloro-propiophenone,3/'-chloropropiophenone PubChem CID: 587128 IUPAC Name: 1-(3-chlorophenyl)propan-1-one SMILES: CCC(=O)C1=CC(=CC=C1)Cl
| PubChem CID | 587128 |
|---|---|
| CAS | 34841-35-5 |
| Molecular Weight (g/mol) | 168.62 |
| MDL Number | MFCD00009925 |
| SMILES | CCC(=O)C1=CC(=CC=C1)Cl |
| Synonym | 3'-chloropropiophenone,1-3-chlorophenyl propan-1-one,m-chloropropiophenone,3-chlorophenyl ethyl ketone,1-propanone, 1-3-chlorophenyl,1-3-chloro-phenyl-propan-1-one,m-chloro-propiophenone,pubchem3083,3'-chloro-propiophenone,3/'-chloropropiophenone |
| IUPAC Name | 1-(3-chlorophenyl)propan-1-one |
| InChI Key | PQWGFUFROKIJBO-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO |
3',5'-Dihydroxyacetophenone, 96%
CAS: 51863-60-6 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002290 InChI Key: WQXWIKCZNIGMAP-UHFFFAOYSA-N Synonym: 3',5'-dihydroxyacetophenone,1-3,5-dihydroxyphenyl ethanone,3,5-dihydroxyacetophenone,5-acetylresorcinol,1-3,5-dihydroxyphenyl ethan-1-one,unii-kp7r433nnr,ethanone, 1-3,5-dihydroxyphenyl,kp7r433nnr,1-acetyl-3,5-dihydroxybenzene,1-3,5-dihydroxyphenyl-ethanone PubChem CID: 103993 IUPAC Name: 1-(3,5-dihydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC(=C1)O)O
| PubChem CID | 103993 |
|---|---|
| CAS | 51863-60-6 |
| Molecular Weight (g/mol) | 152.149 |
| MDL Number | MFCD00002290 |
| SMILES | CC(=O)C1=CC(=CC(=C1)O)O |
| Synonym | 3',5'-dihydroxyacetophenone,1-3,5-dihydroxyphenyl ethanone,3,5-dihydroxyacetophenone,5-acetylresorcinol,1-3,5-dihydroxyphenyl ethan-1-one,unii-kp7r433nnr,ethanone, 1-3,5-dihydroxyphenyl,kp7r433nnr,1-acetyl-3,5-dihydroxybenzene,1-3,5-dihydroxyphenyl-ethanone |
| IUPAC Name | 1-(3,5-dihydroxyphenyl)ethanone |
| InChI Key | WQXWIKCZNIGMAP-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
3-Bromo-4-pyridinecarboxaldehyde, 97%
CAS: 70201-43-3 Molecular Formula: C6H4BrNO Molecular Weight (g/mol): 186 InChI Key: NOBDKWLIAQKADB-UHFFFAOYSA-N Synonym: 3-bromoisonicotinaldehyde,3-bromo-4-pyridinecarboxaldehyde,3-bromopyridine-4-carboxaldehyde,3-bromo-4-formylpyridine,3-bromo-4-pyridinecarbaldehyde,4-pyridinecarboxaldehyde, 3-bromo,3-bromo-4-pyridincarbaldehyde,bromoisonicotinaldehyde,pubchem5063,acmc-1blzq PubChem CID: 2762997 IUPAC Name: 3-bromopyridine-4-carbaldehyde SMILES: C1=CN=CC(=C1C=O)Br
| PubChem CID | 2762997 |
|---|---|
| CAS | 70201-43-3 |
| Molecular Weight (g/mol) | 186 |
| SMILES | C1=CN=CC(=C1C=O)Br |
| Synonym | 3-bromoisonicotinaldehyde,3-bromo-4-pyridinecarboxaldehyde,3-bromopyridine-4-carboxaldehyde,3-bromo-4-formylpyridine,3-bromo-4-pyridinecarbaldehyde,4-pyridinecarboxaldehyde, 3-bromo,3-bromo-4-pyridincarbaldehyde,bromoisonicotinaldehyde,pubchem5063,acmc-1blzq |
| IUPAC Name | 3-bromopyridine-4-carbaldehyde |
| InChI Key | NOBDKWLIAQKADB-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrNO |
4-Amino-3-penten-2-one, 96%
CAS: 1118-66-7 Molecular Formula: C5H9NO Molecular Weight (g/mol): 99.133 MDL Number: MFCD00043715 InChI Key: OSLAYKKXCYSJSF-ONEGZZNKSA-N Synonym: acetylacetonamine,fluoral-p,4-amino-3-penten-2-one,e-4-aminopent-3-en-2-one,3-penten-2-one, 4-amino,3e-4-aminopent-3-en-2-one,4-aminopent-3-en-2-one,4-amino-pent-3-en-2-one,e-4-amino-3-pentene-2-one,2-acetyl-1-amino-1-methylethylene PubChem CID: 5367854 ChEBI: CHEBI:51695 IUPAC Name: (E)-4-aminopent-3-en-2-one SMILES: CC(=CC(=O)C)N
| PubChem CID | 5367854 |
|---|---|
| CAS | 1118-66-7 |
| Molecular Weight (g/mol) | 99.133 |
| ChEBI | CHEBI:51695 |
| MDL Number | MFCD00043715 |
| SMILES | CC(=CC(=O)C)N |
| Synonym | acetylacetonamine,fluoral-p,4-amino-3-penten-2-one,e-4-aminopent-3-en-2-one,3-penten-2-one, 4-amino,3e-4-aminopent-3-en-2-one,4-aminopent-3-en-2-one,4-amino-pent-3-en-2-one,e-4-amino-3-pentene-2-one,2-acetyl-1-amino-1-methylethylene |
| IUPAC Name | (E)-4-aminopent-3-en-2-one |
| InChI Key | OSLAYKKXCYSJSF-ONEGZZNKSA-N |
| Molecular Formula | C5H9NO |
2,6-Dimethyl-5-heptenal, stabilized, Thermo Scientific Chemicals
CAS: 106-72-9 Molecular Formula: C9H16O Molecular Weight (g/mol): 140.226 MDL Number: MFCD00006981 InChI Key: YGFGZTXGYTUXBA-UHFFFAOYSA-N Synonym: 2,6-dimethyl-5-heptenal,melonal,5-heptenal, 2,6-dimethyl,bergamal,2,6-dimethyl-5-hepten-1-al,2,6-dimethyl-5-heptanal,2,6-dimethylhept-5-en-1-al,fema no. 2389,2,6-dimethyl-2-hepten-7-al,2,6-dimethyl-5-heptenal natural PubChem CID: 61016 IUPAC Name: 2,6-dimethylhept-5-enal SMILES: CC(CCC=C(C)C)C=O
| PubChem CID | 61016 |
|---|---|
| CAS | 106-72-9 |
| Molecular Weight (g/mol) | 140.226 |
| MDL Number | MFCD00006981 |
| SMILES | CC(CCC=C(C)C)C=O |
| Synonym | 2,6-dimethyl-5-heptenal,melonal,5-heptenal, 2,6-dimethyl,bergamal,2,6-dimethyl-5-hepten-1-al,2,6-dimethyl-5-heptanal,2,6-dimethylhept-5-en-1-al,fema no. 2389,2,6-dimethyl-2-hepten-7-al,2,6-dimethyl-5-heptenal natural |
| IUPAC Name | 2,6-dimethylhept-5-enal |
| InChI Key | YGFGZTXGYTUXBA-UHFFFAOYSA-N |
| Molecular Formula | C9H16O |
Bromoacetaldehyde diethyl acetal, 97%
CAS: 2032-35-1 Molecular Formula: C6H13BrO2 Molecular Weight (g/mol): 197.07 MDL Number: MFCD00000214 InChI Key: LILXDMFJXYAKMK-UHFFFAOYSA-N Synonym: bromoacetaldehyde diethyl acetal,bromoacetal,2,2-diethoxyethyl bromide,ethane, 2-bromo-1,1-diethoxy,bromacetal,1-bromo-2,2-diethoxyethane,diethyl bromoacetal,2-bromoacetaldehyde diethyl acetal,1,1-diethoxy-2-bromoethane,diethyl bromoacetaldehyde acetal PubChem CID: 74852 IUPAC Name: 2-bromo-1,1-diethoxyethane SMILES: CCOC(CBr)OCC
| PubChem CID | 74852 |
|---|---|
| CAS | 2032-35-1 |
| Molecular Weight (g/mol) | 197.07 |
| MDL Number | MFCD00000214 |
| SMILES | CCOC(CBr)OCC |
| Synonym | bromoacetaldehyde diethyl acetal,bromoacetal,2,2-diethoxyethyl bromide,ethane, 2-bromo-1,1-diethoxy,bromacetal,1-bromo-2,2-diethoxyethane,diethyl bromoacetal,2-bromoacetaldehyde diethyl acetal,1,1-diethoxy-2-bromoethane,diethyl bromoacetaldehyde acetal |
| IUPAC Name | 2-bromo-1,1-diethoxyethane |
| InChI Key | LILXDMFJXYAKMK-UHFFFAOYSA-N |
| Molecular Formula | C6H13BrO2 |
1-(4-Methoxyphenyl)ethanol, 95%
CAS: 3319-15-1 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00016857,MFCD09863666,MFCD09863667 InChI Key: IUUULXXWNYKJSL-UHFFFAOYNA-N Synonym: 1-4-methoxyphenyl ethanol,1-4-methoxyphenyl ethan-1-ol,4-methoxy-alpha-methylbenzyl alcohol,4-methoxyphenyl methyl carbinol,1-p-methoxyphenyl ethanol,4-methoxy-.alpha.-methylbenzyl alcohol,1-4-methoxyphenyl-ethanol,acmc-20apae,4-methoxyphenyl ethanol,1 p-methoxyphenyl ethanol PubChem CID: 101148 ChEBI: CHEBI:86566 IUPAC Name: 1-(4-methoxyphenyl)ethanol SMILES: COC1=CC=C(C=C1)C(C)O
| PubChem CID | 101148 |
|---|---|
| CAS | 3319-15-1 |
| Molecular Weight (g/mol) | 152.19 |
| ChEBI | CHEBI:86566 |
| MDL Number | MFCD00016857,MFCD09863666,MFCD09863667 |
| SMILES | COC1=CC=C(C=C1)C(C)O |
| Synonym | 1-4-methoxyphenyl ethanol,1-4-methoxyphenyl ethan-1-ol,4-methoxy-alpha-methylbenzyl alcohol,4-methoxyphenyl methyl carbinol,1-p-methoxyphenyl ethanol,4-methoxy-.alpha.-methylbenzyl alcohol,1-4-methoxyphenyl-ethanol,acmc-20apae,4-methoxyphenyl ethanol,1 p-methoxyphenyl ethanol |
| IUPAC Name | 1-(4-methoxyphenyl)ethanol |
| InChI Key | IUUULXXWNYKJSL-UHFFFAOYNA-N |
| Molecular Formula | C9H12O2 |
3-Acetylbenzeneboronic acid, 97%
CAS: 204841-19-0 Molecular Formula: C8H9BO3 Molecular Weight (g/mol): 163.967 MDL Number: MFCD01074678 InChI Key: SJGGDZCTGBKBCK-UHFFFAOYSA-N Synonym: 3-acetylphenyl boronic acid,3-acetylbenzeneboronic acid,3-acetylphenylboronicacid,m-acetylphenylboronic acid,3'-boronoacetophenone,boronic acid, 3-acetylphenyl,1-3-dihydroxyboranyl phenyl ethan-1-one,pubchem2751,acmc-209faq,3-acetylphenyboronic acid PubChem CID: 2734310 ChEBI: CHEBI:86552 IUPAC Name: (3-acetylphenyl)boronic acid SMILES: B(C1=CC(=CC=C1)C(=O)C)(O)O
| PubChem CID | 2734310 |
|---|---|
| CAS | 204841-19-0 |
| Molecular Weight (g/mol) | 163.967 |
| ChEBI | CHEBI:86552 |
| MDL Number | MFCD01074678 |
| SMILES | B(C1=CC(=CC=C1)C(=O)C)(O)O |
| Synonym | 3-acetylphenyl boronic acid,3-acetylbenzeneboronic acid,3-acetylphenylboronicacid,m-acetylphenylboronic acid,3'-boronoacetophenone,boronic acid, 3-acetylphenyl,1-3-dihydroxyboranyl phenyl ethan-1-one,pubchem2751,acmc-209faq,3-acetylphenyboronic acid |
| IUPAC Name | (3-acetylphenyl)boronic acid |
| InChI Key | SJGGDZCTGBKBCK-UHFFFAOYSA-N |
| Molecular Formula | C8H9BO3 |
5-Methoxypsoralen, 98%
CAS: 484-20-8 Molecular Formula: C12H8O4 Molecular Weight (g/mol): 216.19 InChI Key: BGEBZHIAGXMEMV-UHFFFAOYSA-N Synonym: bergapten,5-methoxypsoralen,bergaptene,heraclin,majudin,4-methoxy-7h-furo 3,2-g chromen-7-one,bergaptan,psoraderm,5-mop,o-methylbergaptol PubChem CID: 2355 ChEBI: CHEBI:18293 IUPAC Name: 4-methoxyfuro[3,2-g]chromen-7-one SMILES: COC1=C2C=CC(=O)OC2=CC3=C1C=CO3
| PubChem CID | 2355 |
|---|---|
| CAS | 484-20-8 |
| Molecular Weight (g/mol) | 216.19 |
| ChEBI | CHEBI:18293 |
| SMILES | COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 |
| Synonym | bergapten,5-methoxypsoralen,bergaptene,heraclin,majudin,4-methoxy-7h-furo 3,2-g chromen-7-one,bergaptan,psoraderm,5-mop,o-methylbergaptol |
| IUPAC Name | 4-methoxyfuro[3,2-g]chromen-7-one |
| InChI Key | BGEBZHIAGXMEMV-UHFFFAOYSA-N |
| Molecular Formula | C12H8O4 |
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 |
4-(3-Chloropropyl)morpholine, 95%
CAS: 7357-67-7 Molecular Formula: C7H14ClNO Molecular Weight (g/mol): 163.645 MDL Number: MFCD00039714 InChI Key: PIAZYBLGBSMNLX-UHFFFAOYSA-N Synonym: 4-3-chloropropyl morpholine,n-3-chloropropyl morpholine,morpholine, 4-3-chloropropyl,3-morpholinopropyl chloride,1-chloro-3-morpholinopropane,4-3-chloropropyl-morpholine,1-chloro-3-morpholin-4-yl propane,4-3-chloro-propyl-morpholine,morpholine, 4-3-chloropropyl-, hydrochloride PubChem CID: 95834 IUPAC Name: 4-(3-chloropropyl)morpholine SMILES: C1COCCN1CCCCl
| PubChem CID | 95834 |
|---|---|
| CAS | 7357-67-7 |
| Molecular Weight (g/mol) | 163.645 |
| MDL Number | MFCD00039714 |
| SMILES | C1COCCN1CCCCl |
| Synonym | 4-3-chloropropyl morpholine,n-3-chloropropyl morpholine,morpholine, 4-3-chloropropyl,3-morpholinopropyl chloride,1-chloro-3-morpholinopropane,4-3-chloropropyl-morpholine,1-chloro-3-morpholin-4-yl propane,4-3-chloro-propyl-morpholine,morpholine, 4-3-chloropropyl-, hydrochloride |
| IUPAC Name | 4-(3-chloropropyl)morpholine |
| InChI Key | PIAZYBLGBSMNLX-UHFFFAOYSA-N |
| Molecular Formula | C7H14ClNO |