Organooxygen compounds
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2,5-Dihydroxybenzaldehyde 98.0+%, TCI America™
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CAS: 1194-98-5 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00003333 InChI Key: CLFRCXCBWIQVRN-UHFFFAOYSA-N Synonym: gentisaldehyde,benzaldehyde, 2,5-dihydroxy,gentisate aldehyde,unii-0q83hds90w,polymer,2-formylhydroquinone,pubchem2285,acmc-1btnd,2,5 dihydroxybenzaldehyde,benzaldehyde,5-dihydroxy PubChem CID: 70949 ChEBI: CHEBI:28508 IUPAC Name: 2,5-dihydroxybenzaldehyde SMILES: OC1=CC=C(O)C(C=O)=C1
| PubChem CID | 70949 |
|---|---|
| CAS | 1194-98-5 |
| Molecular Weight (g/mol) | 138.12 |
| ChEBI | CHEBI:28508 |
| MDL Number | MFCD00003333 |
| SMILES | OC1=CC=C(O)C(C=O)=C1 |
| Synonym | gentisaldehyde,benzaldehyde, 2,5-dihydroxy,gentisate aldehyde,unii-0q83hds90w,polymer,2-formylhydroquinone,pubchem2285,acmc-1btnd,2,5 dihydroxybenzaldehyde,benzaldehyde,5-dihydroxy |
| IUPAC Name | 2,5-dihydroxybenzaldehyde |
| InChI Key | CLFRCXCBWIQVRN-UHFFFAOYSA-N |
| Molecular Formula | C7H6O3 |
3-Methoxypyridazine 97.0+%, TCI America™
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CAS: 19064-65-4 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.116 MDL Number: MFCD00234098 InChI Key: ASFHDLDAWYTMJS-UHFFFAOYSA-N PubChem CID: 292493 IUPAC Name: 3-methoxypyridazine SMILES: COC1=NN=CC=C1
| PubChem CID | 292493 |
|---|---|
| CAS | 19064-65-4 |
| Molecular Weight (g/mol) | 110.116 |
| MDL Number | MFCD00234098 |
| SMILES | COC1=NN=CC=C1 |
| IUPAC Name | 3-methoxypyridazine |
| InChI Key | ASFHDLDAWYTMJS-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O |
4'-Chloro-2'-hydroxyacetophenone 96.0+%, TCI America™
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CAS: 6921-66-0 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.592 MDL Number: MFCD00238557 InChI Key: QCVSDCHNBNFJDQ-UHFFFAOYSA-N PubChem CID: 1051513 IUPAC Name: 1-(4-chloro-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=C(C=C(C=C1)Cl)O
| PubChem CID | 1051513 |
|---|---|
| CAS | 6921-66-0 |
| Molecular Weight (g/mol) | 170.592 |
| MDL Number | MFCD00238557 |
| SMILES | CC(=O)C1=C(C=C(C=C1)Cl)O |
| IUPAC Name | 1-(4-chloro-2-hydroxyphenyl)ethanone |
| InChI Key | QCVSDCHNBNFJDQ-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO2 |
3'-Acetoxyacetophenone 98.0+%, TCI America™
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CAS: 2454-35-5 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD00017227 InChI Key: OTHYPAMNTUGKDK-UHFFFAOYSA-N PubChem CID: 75563 IUPAC Name: (3-acetylphenyl) acetate SMILES: CC(=O)C1=CC(=CC=C1)OC(=O)C
| PubChem CID | 75563 |
|---|---|
| CAS | 2454-35-5 |
| Molecular Weight (g/mol) | 178.187 |
| MDL Number | MFCD00017227 |
| SMILES | CC(=O)C1=CC(=CC=C1)OC(=O)C |
| IUPAC Name | (3-acetylphenyl) acetate |
| InChI Key | OTHYPAMNTUGKDK-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
trans-2-Heptenal 95.0+%, TCI America™
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CAS: 18829-55-5 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.172 MDL Number: MFCD00007010 InChI Key: NDFKTBCGKNOHPJ-AATRIKPKSA-N Synonym: e-hept-2-enal,trans-2-heptenal,2-heptenal,butylacrolein,3-butylacrolein,2-heptenal, e,e-2-hepten-1-al,2-heptenal, 2e,beta-butylacrolein,trans-2-hepten-1-al PubChem CID: 5283316 IUPAC Name: (E)-hept-2-enal SMILES: CCCCC=CC=O
| PubChem CID | 5283316 |
|---|---|
| CAS | 18829-55-5 |
| Molecular Weight (g/mol) | 112.172 |
| MDL Number | MFCD00007010 |
| SMILES | CCCCC=CC=O |
| Synonym | e-hept-2-enal,trans-2-heptenal,2-heptenal,butylacrolein,3-butylacrolein,2-heptenal, e,e-2-hepten-1-al,2-heptenal, 2e,beta-butylacrolein,trans-2-hepten-1-al |
| IUPAC Name | (E)-hept-2-enal |
| InChI Key | NDFKTBCGKNOHPJ-AATRIKPKSA-N |
| Molecular Formula | C7H12O |
4'-Cyanoacetophenone 97.0+%, TCI America™
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CAS: 1443-80-7 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.161 MDL Number: MFCD00001825 InChI Key: NLPHXWGWBKZSJC-UHFFFAOYSA-N Synonym: 4'-cyanoacetophenone,benzonitrile, 4-acetyl,p-cyanoacetophenone,4-cyanoacetophenone,p-acetylbenzonitrile,4-acetyl-benzonitrile,benzonitrile, p-acetyl,4-acetylbenzenecarbonitrile,4-acetylbenznitrile PubChem CID: 74044 IUPAC Name: 4-acetylbenzonitrile SMILES: CC(=O)C1=CC=C(C=C1)C#N
| PubChem CID | 74044 |
|---|---|
| CAS | 1443-80-7 |
| Molecular Weight (g/mol) | 145.161 |
| MDL Number | MFCD00001825 |
| SMILES | CC(=O)C1=CC=C(C=C1)C#N |
| Synonym | 4'-cyanoacetophenone,benzonitrile, 4-acetyl,p-cyanoacetophenone,4-cyanoacetophenone,p-acetylbenzonitrile,4-acetyl-benzonitrile,benzonitrile, p-acetyl,4-acetylbenzenecarbonitrile,4-acetylbenznitrile |
| IUPAC Name | 4-acetylbenzonitrile |
| InChI Key | NLPHXWGWBKZSJC-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
Ethylene Cyanohydrin 98.0+%, TCI America™
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CAS: 109-78-4 Molecular Formula: C3H5NO Molecular Weight (g/mol): 71.079 MDL Number: MFCD00002826 InChI Key: WSGYTJNNHPZFKR-UHFFFAOYSA-N Synonym: 3-hydroxypropionitrile,hydracrylonitrile,2-cyanoethanol,ethylene cyanohydrin,propanenitrile, 3-hydroxy,beta-cyanoethanol,glycol cyanohydrin,methanolacetonitrile,hydroxypropanenitrile,2-hydroxycyanoethane PubChem CID: 8011 IUPAC Name: 3-hydroxypropanenitrile SMILES: C(CO)C#N
| PubChem CID | 8011 |
|---|---|
| CAS | 109-78-4 |
| Molecular Weight (g/mol) | 71.079 |
| MDL Number | MFCD00002826 |
| SMILES | C(CO)C#N |
| Synonym | 3-hydroxypropionitrile,hydracrylonitrile,2-cyanoethanol,ethylene cyanohydrin,propanenitrile, 3-hydroxy,beta-cyanoethanol,glycol cyanohydrin,methanolacetonitrile,hydroxypropanenitrile,2-hydroxycyanoethane |
| IUPAC Name | 3-hydroxypropanenitrile |
| InChI Key | WSGYTJNNHPZFKR-UHFFFAOYSA-N |
| Molecular Formula | C3H5NO |
Cyclohexanemethanol 98.0+%, TCI America™
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CAS: 100-49-2 Molecular Formula: C7H14O Molecular Weight (g/mol): 114.188 MDL Number: MFCD00001510 InChI Key: VSSAZBXXNIABDN-UHFFFAOYSA-N Synonym: cyclohexanemethanol,cyclohexylcarbinol,hexahydrobenzyl alcohol,cyclohexanecarbinol,methanol, cyclohexyl,cyclohexylmethyl alcohol,benzyl alcohol, hexahydro,usaf do-49,hydroxymethylcyclohexane,hydroxymethyl cyclohexane PubChem CID: 7507 IUPAC Name: cyclohexylmethanol SMILES: C1CCC(CC1)CO
| PubChem CID | 7507 |
|---|---|
| CAS | 100-49-2 |
| Molecular Weight (g/mol) | 114.188 |
| MDL Number | MFCD00001510 |
| SMILES | C1CCC(CC1)CO |
| Synonym | cyclohexanemethanol,cyclohexylcarbinol,hexahydrobenzyl alcohol,cyclohexanecarbinol,methanol, cyclohexyl,cyclohexylmethyl alcohol,benzyl alcohol, hexahydro,usaf do-49,hydroxymethylcyclohexane,hydroxymethyl cyclohexane |
| IUPAC Name | cyclohexylmethanol |
| InChI Key | VSSAZBXXNIABDN-UHFFFAOYSA-N |
| Molecular Formula | C7H14O |
2-Methyl-4-phenyl-3-butyn-2-ol 98.0+%, TCI America™
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CAS: 1719-19-3 Molecular Formula: C11H12O Molecular Weight (g/mol): 160.22 MDL Number: MFCD00041572 InChI Key: FUPXYICBZMASCM-UHFFFAOYSA-N Synonym: 2-Hydroxy-2-methyl-4-phenyl-3-butyne PubChem CID: 288327 IUPAC Name: 2-methyl-4-phenylbut-3-yn-2-ol SMILES: CC(C)(O)C#CC1=CC=CC=C1
| PubChem CID | 288327 |
|---|---|
| CAS | 1719-19-3 |
| Molecular Weight (g/mol) | 160.22 |
| MDL Number | MFCD00041572 |
| SMILES | CC(C)(O)C#CC1=CC=CC=C1 |
| Synonym | 2-Hydroxy-2-methyl-4-phenyl-3-butyne |
| IUPAC Name | 2-methyl-4-phenylbut-3-yn-2-ol |
| InChI Key | FUPXYICBZMASCM-UHFFFAOYSA-N |
| Molecular Formula | C11H12O |
Bergapten 98.0+%, TCI America™
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CAS: 484-20-8 Molecular Formula: C12H8O4 Molecular Weight (g/mol): 216.192 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) | 216.192 |
| 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 |
1,5,6,7-Tetrahydro-2-methyl-4H-indol-4-one 98.0+%, TCI America™
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CAS: 35308-68-0 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD04972500 InChI Key: HJIYEKHYUGHTAC-UHFFFAOYSA-N Synonym: 2-Methyl-4-oxo-4,5,6,7-tetrahydroindole PubChem CID: 9815223 IUPAC Name: 2-methyl-4,5,6,7-tetrahydro-1H-indol-4-one SMILES: CC1=CC2=C(CCCC2=O)N1
| PubChem CID | 9815223 |
|---|---|
| CAS | 35308-68-0 |
| Molecular Weight (g/mol) | 149.19 |
| MDL Number | MFCD04972500 |
| SMILES | CC1=CC2=C(CCCC2=O)N1 |
| Synonym | 2-Methyl-4-oxo-4,5,6,7-tetrahydroindole |
| IUPAC Name | 2-methyl-4,5,6,7-tetrahydro-1H-indol-4-one |
| InChI Key | HJIYEKHYUGHTAC-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |
Bis(2,4-pentanedionato)copper(II) 97.0+%, TCI America™
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CAS: 13395-16-9 Molecular Formula: C10H14CuO4 Molecular Weight (g/mol): 261.76 MDL Number: MFCD00000016 InChI Key: QYJPSWYYEKYVEJ-FDGPNNRMSA-L Synonym: Acetylacetone Copper(II) Salt, Copper(II) Acetylacetonate, Cupric Acetylacetonate IUPAC Name: copper(2+) bis((2Z)-4-oxopent-2-en-2-olate) SMILES: [Cu++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O
| CAS | 13395-16-9 |
|---|---|
| Molecular Weight (g/mol) | 261.76 |
| MDL Number | MFCD00000016 |
| SMILES | [Cu++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O |
| Synonym | Acetylacetone Copper(II) Salt, Copper(II) Acetylacetonate, Cupric Acetylacetonate |
| IUPAC Name | copper(2+) bis((2Z)-4-oxopent-2-en-2-olate) |
| InChI Key | QYJPSWYYEKYVEJ-FDGPNNRMSA-L |
| Molecular Formula | C10H14CuO4 |
2-Acetamidoethanol 90.0+%, TCI America™
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CAS: 142-26-7 Molecular Formula: C4H9NO2 Molecular Weight (g/mol): 103.121 MDL Number: MFCD00002836 InChI Key: PVCJKHHOXFKFRP-UHFFFAOYSA-N Synonym: n-2-hydroxyethyl acetamide,n-acetylethanolamine,2-acetamidoethanol,acetamide, n-2-hydroxyethyl,acetylcolamine,2-acetylaminoethanol,acetamide mea,n-ethanolacetamide,n-acetyl-2-aminoethanol,hydroxyethyl acetamide PubChem CID: 8880 ChEBI: CHEBI:74687 IUPAC Name: N-(2-hydroxyethyl)acetamide SMILES: CC(=O)NCCO
| PubChem CID | 8880 |
|---|---|
| CAS | 142-26-7 |
| Molecular Weight (g/mol) | 103.121 |
| ChEBI | CHEBI:74687 |
| MDL Number | MFCD00002836 |
| SMILES | CC(=O)NCCO |
| Synonym | n-2-hydroxyethyl acetamide,n-acetylethanolamine,2-acetamidoethanol,acetamide, n-2-hydroxyethyl,acetylcolamine,2-acetylaminoethanol,acetamide mea,n-ethanolacetamide,n-acetyl-2-aminoethanol,hydroxyethyl acetamide |
| IUPAC Name | N-(2-hydroxyethyl)acetamide |
| InChI Key | PVCJKHHOXFKFRP-UHFFFAOYSA-N |
| Molecular Formula | C4H9NO2 |
2'-Methylacetophenone 98.0+%, TCI America™
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CAS: 577-16-2 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00008734 InChI Key: YXWWHNCQZBVZPV-UHFFFAOYSA-N Synonym: 2'-methylacetophenone,1-o-tolyl ethanone,2-methylacetophenone,o-methylacetophenone,2-acetyltoluene,o-acetyltoluene,1-2-methylphenyl ethanone,ethanone, 1-2-methylphenyl,2'-methylacetylphenone,acetophenone, 2'-methyl PubChem CID: 11340 IUPAC Name: 1-(2-methylphenyl)ethanone SMILES: CC1=CC=CC=C1C(=O)C
| PubChem CID | 11340 |
|---|---|
| CAS | 577-16-2 |
| Molecular Weight (g/mol) | 134.178 |
| MDL Number | MFCD00008734 |
| SMILES | CC1=CC=CC=C1C(=O)C |
| Synonym | 2'-methylacetophenone,1-o-tolyl ethanone,2-methylacetophenone,o-methylacetophenone,2-acetyltoluene,o-acetyltoluene,1-2-methylphenyl ethanone,ethanone, 1-2-methylphenyl,2'-methylacetylphenone,acetophenone, 2'-methyl |
| IUPAC Name | 1-(2-methylphenyl)ethanone |
| InChI Key | YXWWHNCQZBVZPV-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
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 |