Organooxygen compounds
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5-Acetoxymethylfurfural 98.0+%, TCI America™
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CAS: 10551-58-3 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.148 MDL Number: MFCD00003233 InChI Key: QAVITTVTXPZTSE-UHFFFAOYSA-N Synonym: 5-acetoxymethyl-2-furaldehyde,5-formylfuran-2-yl methyl acetate,5-acetoxymethylfurfural,5-acetoxymethyl furfural,5-formylfurfuryl acetate,5-formyl-2-furyl methyl acetate,unii-5hh6180xyd,5-acetoxymethyl furfural amf,2-furancarboxaldehyde, 5-acetyloxy methyl PubChem CID: 66349 IUPAC Name: (5-formylfuran-2-yl)methyl acetate SMILES: CC(=O)OCC1=CC=C(O1)C=O
| PubChem CID | 66349 |
|---|---|
| CAS | 10551-58-3 |
| Molecular Weight (g/mol) | 168.148 |
| MDL Number | MFCD00003233 |
| SMILES | CC(=O)OCC1=CC=C(O1)C=O |
| Synonym | 5-acetoxymethyl-2-furaldehyde,5-formylfuran-2-yl methyl acetate,5-acetoxymethylfurfural,5-acetoxymethyl furfural,5-formylfurfuryl acetate,5-formyl-2-furyl methyl acetate,unii-5hh6180xyd,5-acetoxymethyl furfural amf,2-furancarboxaldehyde, 5-acetyloxy methyl |
| IUPAC Name | (5-formylfuran-2-yl)methyl acetate |
| InChI Key | QAVITTVTXPZTSE-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
6,7,8,9-Tetrahydro-5H-benzocyclohepten-5-one 97.0+%, TCI America™
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CAS: 826-73-3 Molecular Formula: C11H12O Molecular Weight (g/mol): 160.22 MDL Number: MFCD00004144 InChI Key: KWHUHTFXMNQHAA-UHFFFAOYSA-N Synonym: 1-Benzosuberone PubChem CID: 70003 IUPAC Name: 6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one SMILES: O=C1CCCCC2=CC=CC=C12
| PubChem CID | 70003 |
|---|---|
| CAS | 826-73-3 |
| Molecular Weight (g/mol) | 160.22 |
| MDL Number | MFCD00004144 |
| SMILES | O=C1CCCCC2=CC=CC=C12 |
| Synonym | 1-Benzosuberone |
| IUPAC Name | 6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one |
| InChI Key | KWHUHTFXMNQHAA-UHFFFAOYSA-N |
| Molecular Formula | C11H12O |
4-Benzyloxyindole 98.0+%, TCI America™
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CAS: 20289-26-3 Molecular Formula: C15H13NO Molecular Weight (g/mol): 223.275 InChI Key: LJFVSIDBFJPKLD-UHFFFAOYSA-N Synonym: 4-benzyloxyindole,4-benzyloxy-1h-indole,4-phenylmethoxy-1h-indole,1h-indole, 4-phenylmethoxy,4-benzyloxy-indole,4-phenylmethoxy indole,4-benzoxyindole,4-benzyloxy-indol,4-benzyloxyindole; PubChem CID: 88465 IUPAC Name: 4-phenylmethoxy-1H-indole SMILES: C1=CC=C(C=C1)COC2=CC=CC3=C2C=CN3
| PubChem CID | 88465 |
|---|---|
| CAS | 20289-26-3 |
| Molecular Weight (g/mol) | 223.275 |
| SMILES | C1=CC=C(C=C1)COC2=CC=CC3=C2C=CN3 |
| Synonym | 4-benzyloxyindole,4-benzyloxy-1h-indole,4-phenylmethoxy-1h-indole,1h-indole, 4-phenylmethoxy,4-benzyloxy-indole,4-phenylmethoxy indole,4-benzoxyindole,4-benzyloxy-indol,4-benzyloxyindole; |
| IUPAC Name | 4-phenylmethoxy-1H-indole |
| InChI Key | LJFVSIDBFJPKLD-UHFFFAOYSA-N |
| Molecular Formula | C15H13NO |
alpha-Cyclopropylbenzyl Alcohol 96.0+%, TCI America™
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CAS: 1007-03-0 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00001299 InChI Key: GOXKCYOMDINCCD-UHFFFAOYSA-N Synonym: cyclopropyl phenyl methanol,alpha-cyclopropylbenzyl alcohol,cyclopropylphenylcarbinol,cyclopropyl phenylmethanol,cyclopropyl phenyl carbinol,phenylcyclopropyl methanol,acmc-2097rv,cyclopropylphenylmethan-1-ol,alpha-cyclopropylbenzylalcohol,cyclopropyl phenyl methanol # PubChem CID: 66090 IUPAC Name: cyclopropyl(phenyl)methanol SMILES: C1CC1C(C2=CC=CC=C2)O
| PubChem CID | 66090 |
|---|---|
| CAS | 1007-03-0 |
| Molecular Weight (g/mol) | 148.205 |
| MDL Number | MFCD00001299 |
| SMILES | C1CC1C(C2=CC=CC=C2)O |
| Synonym | cyclopropyl phenyl methanol,alpha-cyclopropylbenzyl alcohol,cyclopropylphenylcarbinol,cyclopropyl phenylmethanol,cyclopropyl phenyl carbinol,phenylcyclopropyl methanol,acmc-2097rv,cyclopropylphenylmethan-1-ol,alpha-cyclopropylbenzylalcohol,cyclopropyl phenyl methanol # |
| IUPAC Name | cyclopropyl(phenyl)methanol |
| InChI Key | GOXKCYOMDINCCD-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
3-Cyclohexene-1-methanol 98.0+%, TCI America™
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CAS: 1679-51-2 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.17 MDL Number: MFCD00001574 InChI Key: VEIYJWQZNGASMA-UHFFFAOYNA-N Synonym: 1,2,3,6-Tetrahydrobenzyl Alcohol PubChem CID: 15512 IUPAC Name: (cyclohex-3-en-1-yl)methanol SMILES: OCC1CCC=CC1
| PubChem CID | 15512 |
|---|---|
| CAS | 1679-51-2 |
| Molecular Weight (g/mol) | 112.17 |
| MDL Number | MFCD00001574 |
| SMILES | OCC1CCC=CC1 |
| Synonym | 1,2,3,6-Tetrahydrobenzyl Alcohol |
| IUPAC Name | (cyclohex-3-en-1-yl)methanol |
| InChI Key | VEIYJWQZNGASMA-UHFFFAOYNA-N |
| Molecular Formula | C7H12O |
Heptadecanal 97.0+%, TCI America™
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CAS: 629-90-3 Molecular Formula: C17H34O Molecular Weight (g/mol): 254.458 MDL Number: MFCD04034658 InChI Key: PIYDVAYKYBWPPY-UHFFFAOYSA-N Synonym: Heptadecanaldehyde, Heptadecyl Aldehyde PubChem CID: 71552 IUPAC Name: heptadecanal SMILES: CCCCCCCCCCCCCCCCC=O
| PubChem CID | 71552 |
|---|---|
| CAS | 629-90-3 |
| Molecular Weight (g/mol) | 254.458 |
| MDL Number | MFCD04034658 |
| SMILES | CCCCCCCCCCCCCCCCC=O |
| Synonym | Heptadecanaldehyde, Heptadecyl Aldehyde |
| IUPAC Name | heptadecanal |
| InChI Key | PIYDVAYKYBWPPY-UHFFFAOYSA-N |
| Molecular Formula | C17H34O |
2-(Difluoromethoxy)benzaldehyde 98.0+%, TCI America™
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CAS: 71653-64-0 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD00042251 InChI Key: QPBNHDFPMRENBC-UHFFFAOYSA-N Synonym: 2-difluoromethoxy benzaldehyde,2-difluoromethoxy-benzaldehyde,o-difluoromethoxybenzaldehyde,2-difloromethoxybenzaldehyde,pubchem2906,acmc-209ojk,difluoromethoxybenzaldehyde,ksc356m9l,zerenex zx009675,benzaldehyde, difluoromethoxy PubChem CID: 2736984 IUPAC Name: 2-(difluoromethoxy)benzaldehyde SMILES: C1=CC=C(C(=C1)C=O)OC(F)F
| PubChem CID | 2736984 |
|---|---|
| CAS | 71653-64-0 |
| Molecular Weight (g/mol) | 172.131 |
| MDL Number | MFCD00042251 |
| SMILES | C1=CC=C(C(=C1)C=O)OC(F)F |
| Synonym | 2-difluoromethoxy benzaldehyde,2-difluoromethoxy-benzaldehyde,o-difluoromethoxybenzaldehyde,2-difloromethoxybenzaldehyde,pubchem2906,acmc-209ojk,difluoromethoxybenzaldehyde,ksc356m9l,zerenex zx009675,benzaldehyde, difluoromethoxy |
| IUPAC Name | 2-(difluoromethoxy)benzaldehyde |
| InChI Key | QPBNHDFPMRENBC-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O2 |
3-Cyanophenacyl Bromide 98.0+%, TCI America™
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CAS: 50916-55-7 Molecular Formula: C9H6BrNO Molecular Weight (g/mol): 224.06 MDL Number: MFCD00833267 InChI Key: XWCGNFLHRINYCE-UHFFFAOYSA-N Synonym: 3-2-bromoacetyl benzonitrile,3-cyanophenacyl bromide,3-cyanophenacylbromide,2-bromo-3'-cyanoacetophenone,3-2-bromoacetyl benzenecarbonitrile,3-bromoacetyl benzonitrile,3-2-bromo-acetyl-benzonitrile,benzonitrile, 3-bromoacetyl,3-bromoacetyl-benzonitrile PubChem CID: 2735867 IUPAC Name: 3-(2-bromoacetyl)benzonitrile SMILES: BrCC(=O)C1=CC=CC(=C1)C#N
| PubChem CID | 2735867 |
|---|---|
| CAS | 50916-55-7 |
| Molecular Weight (g/mol) | 224.06 |
| MDL Number | MFCD00833267 |
| SMILES | BrCC(=O)C1=CC=CC(=C1)C#N |
| Synonym | 3-2-bromoacetyl benzonitrile,3-cyanophenacyl bromide,3-cyanophenacylbromide,2-bromo-3'-cyanoacetophenone,3-2-bromoacetyl benzenecarbonitrile,3-bromoacetyl benzonitrile,3-2-bromo-acetyl-benzonitrile,benzonitrile, 3-bromoacetyl,3-bromoacetyl-benzonitrile |
| IUPAC Name | 3-(2-bromoacetyl)benzonitrile |
| InChI Key | XWCGNFLHRINYCE-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrNO |
3-Decen-2-one 93.0+%, TCI America™
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CAS: 10519-33-2 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 MDL Number: MFCD00015700 InChI Key: JRPDANVNRUIUAB-CMDGGOBGSA-N Synonym: 3-decen-2-one,heptylidene acetone,oenanthylidene acetone,e-3-decen-2-one,unii-z22804bqxd,3e-dec-3-en-2-one,e-dec-3-en-2-one,dec-3-en-2-one,fema no. 3532,enanthylidene acetone PubChem CID: 5363233 IUPAC Name: (E)-dec-3-en-2-one SMILES: CCCCCCC=CC(=O)C
| PubChem CID | 5363233 |
|---|---|
| CAS | 10519-33-2 |
| Molecular Weight (g/mol) | 154.253 |
| MDL Number | MFCD00015700 |
| SMILES | CCCCCCC=CC(=O)C |
| Synonym | 3-decen-2-one,heptylidene acetone,oenanthylidene acetone,e-3-decen-2-one,unii-z22804bqxd,3e-dec-3-en-2-one,e-dec-3-en-2-one,dec-3-en-2-one,fema no. 3532,enanthylidene acetone |
| IUPAC Name | (E)-dec-3-en-2-one |
| InChI Key | JRPDANVNRUIUAB-CMDGGOBGSA-N |
| Molecular Formula | C10H18O |
5'-Bromo-2'-hydroxypropiophenone 98.0+%, TCI America™
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CAS: 17764-93-1 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00218577 InChI Key: NDXLYRKTHTZXRC-UHFFFAOYSA-N PubChem CID: 736409 IUPAC Name: 1-(5-bromo-2-hydroxyphenyl)propan-1-one SMILES: CCC(=O)C1=CC(Br)=CC=C1O
| PubChem CID | 736409 |
|---|---|
| CAS | 17764-93-1 |
| Molecular Weight (g/mol) | 229.07 |
| MDL Number | MFCD00218577 |
| SMILES | CCC(=O)C1=CC(Br)=CC=C1O |
| IUPAC Name | 1-(5-bromo-2-hydroxyphenyl)propan-1-one |
| InChI Key | NDXLYRKTHTZXRC-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
trans-2-Undecenal 93.0+%, TCI America™
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CAS: 53448-07-0 Molecular Formula: C11H20O Molecular Weight (g/mol): 168.28 MDL Number: MFCD00014680 InChI Key: PANBRUWVURLWGY-MDZDMXLPSA-N Synonym: trans-2-undecenal,2-undecenal,e-undec-2-enal,e-2-undecenal,2-undecenal, 2e,2-undecen-1-al,2e-2-undecenal,trans-2-undecen-1-al,2-undecenal, e,unii-fnp3s9mg30 PubChem CID: 5283356 IUPAC Name: (E)-undec-2-enal SMILES: CCCCCCCCC=CC=O
| PubChem CID | 5283356 |
|---|---|
| CAS | 53448-07-0 |
| Molecular Weight (g/mol) | 168.28 |
| MDL Number | MFCD00014680 |
| SMILES | CCCCCCCCC=CC=O |
| Synonym | trans-2-undecenal,2-undecenal,e-undec-2-enal,e-2-undecenal,2-undecenal, 2e,2-undecen-1-al,2e-2-undecenal,trans-2-undecen-1-al,2-undecenal, e,unii-fnp3s9mg30 |
| IUPAC Name | (E)-undec-2-enal |
| InChI Key | PANBRUWVURLWGY-MDZDMXLPSA-N |
| Molecular Formula | C11H20O |
1,4-Bisbenzil 97.0+%, TCI America™
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CAS: 3363-97-1 Molecular Formula: C22H14O4 Molecular Weight (g/mol): 342.35 MDL Number: MFCD00039561 InChI Key: FUEGWHHUYNHBNI-UHFFFAOYSA-N Synonym: 1,4-Bis(benzoylcarbonyl)benzene PubChem CID: 137905 IUPAC Name: 1-[4-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione SMILES: O=C(C(=O)C1=CC=C(C=C1)C(=O)C(=O)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 137905 |
|---|---|
| CAS | 3363-97-1 |
| Molecular Weight (g/mol) | 342.35 |
| MDL Number | MFCD00039561 |
| SMILES | O=C(C(=O)C1=CC=C(C=C1)C(=O)C(=O)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 1,4-Bis(benzoylcarbonyl)benzene |
| IUPAC Name | 1-[4-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione |
| InChI Key | FUEGWHHUYNHBNI-UHFFFAOYSA-N |
| Molecular Formula | C22H14O4 |
5-Methoxypyridine-3-boronic Acid (contains varying amounts of Anhydride), TCI America™
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| PubChem CID | 2763087 |
|---|---|
| CAS | 850991-69-4 |
| Molecular Weight (g/mol) | 152.944 |
| MDL Number | MFCD03425977 |
| Color | White |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC(=CN=C1)OC)(O)O |
| TSCA | No |
| IUPAC Name | (5-methoxypyridin-3-yl)boronic acid |
| InChI Key | ISDFOFZTZUILPE-UHFFFAOYSA-N |
| Molecular Formula | C6H8BNO3 |
| Formula Weight | 152.94 |
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 |
2,4-Dihydroxybenzaldehyde 98.0+%, TCI America™
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CAS: 95-01-2 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00011686 InChI Key: IUNJCFABHJZSKB-UHFFFAOYSA-N Synonym: beta-resorcylaldehyde,4-hydroxysalicylaldehyde,4-formylresorcinol,beta-resorcaldehyde,benzaldehyde, 2,4-dihydroxy,beta-resorcinaldehyde,beta-resorcylic aldehyde,2,4-dihydroxybenzenecarbonal,salicylaldehyde, 4-hydroxy,4-hydroxysalicyladehyde PubChem CID: 7213 ChEBI: CHEBI:50198 IUPAC Name: 2,4-dihydroxybenzaldehyde SMILES: OC1=CC=C(C=O)C(O)=C1
| PubChem CID | 7213 |
|---|---|
| CAS | 95-01-2 |
| Molecular Weight (g/mol) | 138.12 |
| ChEBI | CHEBI:50198 |
| MDL Number | MFCD00011686 |
| SMILES | OC1=CC=C(C=O)C(O)=C1 |
| Synonym | beta-resorcylaldehyde,4-hydroxysalicylaldehyde,4-formylresorcinol,beta-resorcaldehyde,benzaldehyde, 2,4-dihydroxy,beta-resorcinaldehyde,beta-resorcylic aldehyde,2,4-dihydroxybenzenecarbonal,salicylaldehyde, 4-hydroxy,4-hydroxysalicyladehyde |
| IUPAC Name | 2,4-dihydroxybenzaldehyde |
| InChI Key | IUNJCFABHJZSKB-UHFFFAOYSA-N |
| Molecular Formula | C7H6O3 |