Organooxygen compounds
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Thermo Scientific Chemicals 2-Deoxy-D-ribose, 99%
CAS: 533-67-5 Molecular Formula: C5H10O4 Molecular Weight (g/mol): 134.13 MDL Number: MFCD00135904 InChI Key: PDWIQYODPROSQH-GLULIZFNNA-N Synonym: 2-deoxy-d-ribose,thyminose,3s,4r-3,4,5-trihydroxypentanal,deoxyribose,2-deoxy-d-erythro-pentose,2-deoxyribose,d-drib,2-deoxy-d-arabinose,unii-lsw4h01241,2-deoxy-d-erythropentose PubChem CID: 5460005 ChEBI: CHEBI:28816 IUPAC Name: (3S,4R)-3,4,5-trihydroxypentanal SMILES: OC[C@H]1OC(O)C[C@@H]1O
| PubChem CID | 5460005 |
|---|---|
| CAS | 533-67-5 |
| Molecular Weight (g/mol) | 134.13 |
| ChEBI | CHEBI:28816 |
| MDL Number | MFCD00135904 |
| SMILES | OC[C@H]1OC(O)C[C@@H]1O |
| Synonym | 2-deoxy-d-ribose,thyminose,3s,4r-3,4,5-trihydroxypentanal,deoxyribose,2-deoxy-d-erythro-pentose,2-deoxyribose,d-drib,2-deoxy-d-arabinose,unii-lsw4h01241,2-deoxy-d-erythropentose |
| IUPAC Name | (3S,4R)-3,4,5-trihydroxypentanal |
| InChI Key | PDWIQYODPROSQH-GLULIZFNNA-N |
| Molecular Formula | C5H10O4 |
1-Pentadecanol, 99%
CAS: 629-76-5 Molecular Formula: C15H32O Molecular Weight (g/mol): 228.42 MDL Number: MFCD00004759 InChI Key: REIUXOLGHVXAEO-UHFFFAOYSA-N Synonym: 1-pentadecanol,pentadecyl alcohol,pentadecanol,n-pentadecanol,n-1-pentadecanol,neodol 5,unii-333qva4g2q,dsstox_cid_7270,dsstox_rid_78381,dsstox_gsid_27270 PubChem CID: 12397 ChEBI: CHEBI:77468 IUPAC Name: pentadecan-1-ol SMILES: CCCCCCCCCCCCCCCO
| PubChem CID | 12397 |
|---|---|
| CAS | 629-76-5 |
| Molecular Weight (g/mol) | 228.42 |
| ChEBI | CHEBI:77468 |
| MDL Number | MFCD00004759 |
| SMILES | CCCCCCCCCCCCCCCO |
| Synonym | 1-pentadecanol,pentadecyl alcohol,pentadecanol,n-pentadecanol,n-1-pentadecanol,neodol 5,unii-333qva4g2q,dsstox_cid_7270,dsstox_rid_78381,dsstox_gsid_27270 |
| IUPAC Name | pentadecan-1-ol |
| InChI Key | REIUXOLGHVXAEO-UHFFFAOYSA-N |
| Molecular Formula | C15H32O |
1,4-Diaminoanthraquinone 90.0+%, TCI America™
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3,5-Di-tert-butylsalicylaldehyde 98.0+%, TCI America™
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CAS: 37942-07-7 Molecular Formula: C15H22O2 Molecular Weight (g/mol): 234.339 MDL Number: MFCD00191998 InChI Key: RRIQVLZDOZPJTH-UHFFFAOYSA-N Synonym: 3,5-di-tert-butyl-2-hydroxybenzaldehyde,3,5-di-tert-butylsalicylaldehyde,3,5-bis 1,1-dimethylethyl-2-hydroxy-benzaldehyde,benzaldehyde, 3,5-bis 1,1-dimethylethyl-2-hydroxy,3,5-di-t-butylsalicylaldehyde,3,5-di-tert-butyl-2-hydroxy-benzaldehyde,benzaldehyde, 2-hydroxy, 3,5-di t-butyl,3,5-bis tert-butyl-2-hydroxybenzaldehyde,pubchem11247,acmc-1aete PubChem CID: 688023 IUPAC Name: 3,5-ditert-butyl-2-hydroxybenzaldehyde SMILES: CC(C)(C)C1=CC(=C(C(=C1)C=O)O)C(C)(C)C
| PubChem CID | 688023 |
|---|---|
| CAS | 37942-07-7 |
| Molecular Weight (g/mol) | 234.339 |
| MDL Number | MFCD00191998 |
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)C=O)O)C(C)(C)C |
| Synonym | 3,5-di-tert-butyl-2-hydroxybenzaldehyde,3,5-di-tert-butylsalicylaldehyde,3,5-bis 1,1-dimethylethyl-2-hydroxy-benzaldehyde,benzaldehyde, 3,5-bis 1,1-dimethylethyl-2-hydroxy,3,5-di-t-butylsalicylaldehyde,3,5-di-tert-butyl-2-hydroxy-benzaldehyde,benzaldehyde, 2-hydroxy, 3,5-di t-butyl,3,5-bis tert-butyl-2-hydroxybenzaldehyde,pubchem11247,acmc-1aete |
| IUPAC Name | 3,5-ditert-butyl-2-hydroxybenzaldehyde |
| InChI Key | RRIQVLZDOZPJTH-UHFFFAOYSA-N |
| Molecular Formula | C15H22O2 |
Chlorogenic acid
CAS: 327-97-9 Molecular Formula: C16H18O9 Molecular Weight (g/mol): 354.31 MDL Number: MFCD00003862 InChI Key: CWVRJTMFETXNAD-JUHZACGLSA-N Synonym: chlorogenic acid,3-caffeoylquinic acid,chlorogenate,3-o-caffeoylquinic acid,3-3,4-dihydroxycinnamoyl quinic acid,heriguard,hlorogenic acid,caffeoyl quinic acid,3-caffeoylquinate,unii-318adp12ri PubChem CID: 1794427 ChEBI: CHEBI:16112 IUPAC Name: (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid SMILES: O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O
| PubChem CID | 1794427 |
|---|---|
| CAS | 327-97-9 |
| Molecular Weight (g/mol) | 354.31 |
| ChEBI | CHEBI:16112 |
| MDL Number | MFCD00003862 |
| SMILES | O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O |
| Synonym | chlorogenic acid,3-caffeoylquinic acid,chlorogenate,3-o-caffeoylquinic acid,3-3,4-dihydroxycinnamoyl quinic acid,heriguard,hlorogenic acid,caffeoyl quinic acid,3-caffeoylquinate,unii-318adp12ri |
| IUPAC Name | (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid |
| InChI Key | CWVRJTMFETXNAD-JUHZACGLSA-N |
| Molecular Formula | C16H18O9 |
2-Hydroxy-3-methoxybenzaldehyde, 99%
CAS: 148-53-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00003322 InChI Key: JJVNINGBHGBWJH-UHFFFAOYSA-N Synonym: 3-methoxysalicylaldehyde,o-vanillin,6-formylguaiacol,2-vanillin,o-vanilline,benzaldehyde, 2-hydroxy-3-methoxy,orthovanilline,2-hydroxy-m-anisaldehyde,6-formyl-2-methoxyphenol,3-methoxy-2-hydroxybenzaldehyde PubChem CID: 8991 ChEBI: CHEBI:78339 IUPAC Name: 2-hydroxy-3-methoxybenzaldehyde SMILES: COC1=CC=CC(C=O)=C1O
| PubChem CID | 8991 |
|---|---|
| CAS | 148-53-8 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:78339 |
| MDL Number | MFCD00003322 |
| SMILES | COC1=CC=CC(C=O)=C1O |
| Synonym | 3-methoxysalicylaldehyde,o-vanillin,6-formylguaiacol,2-vanillin,o-vanilline,benzaldehyde, 2-hydroxy-3-methoxy,orthovanilline,2-hydroxy-m-anisaldehyde,6-formyl-2-methoxyphenol,3-methoxy-2-hydroxybenzaldehyde |
| IUPAC Name | 2-hydroxy-3-methoxybenzaldehyde |
| InChI Key | JJVNINGBHGBWJH-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
4'-Methoxyacetophenone, 99%
CAS: 100-06-1 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00008745 InChI Key: NTPLXRHDUXRPNE-UHFFFAOYSA-N Synonym: 4'-methoxyacetophenone,4-acetylanisole,4-methoxyacetophenone,1-4-methoxyphenyl ethanone,p-methoxyacetophenone,acetanisole,novatone,linarodin,vananote,ethanone, 1-4-methoxyphenyl PubChem CID: 7476 ChEBI: CHEBI:86567 IUPAC Name: 1-(4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C=C1)C(C)=O
| PubChem CID | 7476 |
|---|---|
| CAS | 100-06-1 |
| Molecular Weight (g/mol) | 150.18 |
| ChEBI | CHEBI:86567 |
| MDL Number | MFCD00008745 |
| SMILES | COC1=CC=C(C=C1)C(C)=O |
| Synonym | 4'-methoxyacetophenone,4-acetylanisole,4-methoxyacetophenone,1-4-methoxyphenyl ethanone,p-methoxyacetophenone,acetanisole,novatone,linarodin,vananote,ethanone, 1-4-methoxyphenyl |
| IUPAC Name | 1-(4-methoxyphenyl)ethanone |
| InChI Key | NTPLXRHDUXRPNE-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
Vanillin, 99%, pure
CAS: 121-33-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00006942,MFCD08702848 InChI Key: MWOOGOJBHIARFG-UHFFFAOYSA-N Synonym: vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde PubChem CID: 1183 ChEBI: CHEBI:18346 IUPAC Name: 4-hydroxy-3-methoxybenzaldehyde SMILES: COC1=CC(C=O)=CC=C1O
| PubChem CID | 1183 |
|---|---|
| CAS | 121-33-5 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:18346 |
| MDL Number | MFCD00006942,MFCD08702848 |
| SMILES | COC1=CC(C=O)=CC=C1O |
| Synonym | vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde |
| IUPAC Name | 4-hydroxy-3-methoxybenzaldehyde |
| InChI Key | MWOOGOJBHIARFG-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
4-(4-Nitrophenylazo)resorcinol, 90%
CAS: 74-39-5 Molecular Formula: C12H9N3O4 Molecular Weight (g/mol): 259.22 MDL Number: MFCD00007310 InChI Key: BIFFKKLAAIGZBV-UHFFFAOYSA-N Synonym: p-nitrophenylazoresorcinol,p-diazoviolet,p-nitrobenzeneazoresorcinol,magneson i,magnezon i,4-p-nitrophenylazo resorcinol,p-diazviolet,2,4-dihydroxy-4'-nitroazobenzene,magneson,4-4-nitrophenylazo resorcinol PubChem CID: 5717413 IUPAC Name: (4E)-3-hydroxy-4-[(4-nitrophenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one SMILES: OC1=CC(=O)C=CC1=NNC1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 5717413 |
|---|---|
| CAS | 74-39-5 |
| Molecular Weight (g/mol) | 259.22 |
| MDL Number | MFCD00007310 |
| SMILES | OC1=CC(=O)C=CC1=NNC1=CC=C(C=C1)[N+]([O-])=O |
| Synonym | p-nitrophenylazoresorcinol,p-diazoviolet,p-nitrobenzeneazoresorcinol,magneson i,magnezon i,4-p-nitrophenylazo resorcinol,p-diazviolet,2,4-dihydroxy-4'-nitroazobenzene,magneson,4-4-nitrophenylazo resorcinol |
| IUPAC Name | (4E)-3-hydroxy-4-[(4-nitrophenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one |
| InChI Key | BIFFKKLAAIGZBV-UHFFFAOYSA-N |
| Molecular Formula | C12H9N3O4 |
Dimethoxymethane, 99.5+%
CAS: 109-87-5 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.09 MDL Number: MFCD00008495 InChI Key: NKDDWNXOKDWJAK-UHFFFAOYSA-N Synonym: methylal,formal,methane, dimethoxy,formaldehyde dimethyl acetal,dimethyl formal,anesthenyl,2,4-dioxapentane,bis methoxy methane,methylene dimethyl ether,methoxymethyl methyl ether PubChem CID: 8020 ChEBI: CHEBI:48341 IUPAC Name: dimethoxymethane SMILES: COCOC
| PubChem CID | 8020 |
|---|---|
| CAS | 109-87-5 |
| Molecular Weight (g/mol) | 76.09 |
| ChEBI | CHEBI:48341 |
| MDL Number | MFCD00008495 |
| SMILES | COCOC |
| Synonym | methylal,formal,methane, dimethoxy,formaldehyde dimethyl acetal,dimethyl formal,anesthenyl,2,4-dioxapentane,bis methoxy methane,methylene dimethyl ether,methoxymethyl methyl ether |
| IUPAC Name | dimethoxymethane |
| InChI Key | NKDDWNXOKDWJAK-UHFFFAOYSA-N |
| Molecular Formula | C3H8O2 |
Ethyl hydrogen malonate, 96%
CAS: 1071-46-1 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.115 MDL Number: MFCD00020490 InChI Key: HGINADPHJQTSKN-UHFFFAOYSA-N Synonym: ethyl hydrogen malonate,monoethyl malonate,monoethyl malonic acid,mono-ethyl malonate,monoethyl hydrogen malonate,malonic acid monoethyl ester,ethoxycarbonyl acetic acid,2-ethoxycarbonyl acetic acid,3-ethoxy-3-oxo-propanoic acid,ethylhydrogenmalonate PubChem CID: 70615 ChEBI: CHEBI:86907 IUPAC Name: 3-ethoxy-3-oxopropanoic acid SMILES: CCOC(=O)CC(=O)O
| PubChem CID | 70615 |
|---|---|
| CAS | 1071-46-1 |
| Molecular Weight (g/mol) | 132.115 |
| ChEBI | CHEBI:86907 |
| MDL Number | MFCD00020490 |
| SMILES | CCOC(=O)CC(=O)O |
| Synonym | ethyl hydrogen malonate,monoethyl malonate,monoethyl malonic acid,mono-ethyl malonate,monoethyl hydrogen malonate,malonic acid monoethyl ester,ethoxycarbonyl acetic acid,2-ethoxycarbonyl acetic acid,3-ethoxy-3-oxo-propanoic acid,ethylhydrogenmalonate |
| IUPAC Name | 3-ethoxy-3-oxopropanoic acid |
| InChI Key | HGINADPHJQTSKN-UHFFFAOYSA-N |
| Molecular Formula | C5H8O4 |
3-(4-Morpholinyl)propylamine, 98%
CAS: 123-00-2 Molecular Formula: C7H16N2O Molecular Weight (g/mol): 144.22 MDL Number: MFCD00006184 InChI Key: UIKUBYKUYUSRSM-UHFFFAOYSA-N Synonym: n-3-aminopropyl morpholine,4-morpholinepropanamine,3-morpholinopropylamine,3-morpholinopropan-1-amine,n-aminopropylmorpholine,4-3-aminopropyl morpholine,4-morpholinepropylamine,4-aminopropylmorpholine,1-amino-3-morpholinopropane,3-4-morpholinyl-1-propanamine PubChem CID: 61055 ChEBI: CHEBI:86554 IUPAC Name: 3-morpholin-4-ylpropan-1-amine SMILES: NCCCN1CCOCC1
| PubChem CID | 61055 |
|---|---|
| CAS | 123-00-2 |
| Molecular Weight (g/mol) | 144.22 |
| ChEBI | CHEBI:86554 |
| MDL Number | MFCD00006184 |
| SMILES | NCCCN1CCOCC1 |
| Synonym | n-3-aminopropyl morpholine,4-morpholinepropanamine,3-morpholinopropylamine,3-morpholinopropan-1-amine,n-aminopropylmorpholine,4-3-aminopropyl morpholine,4-morpholinepropylamine,4-aminopropylmorpholine,1-amino-3-morpholinopropane,3-4-morpholinyl-1-propanamine |
| IUPAC Name | 3-morpholin-4-ylpropan-1-amine |
| InChI Key | UIKUBYKUYUSRSM-UHFFFAOYSA-N |
| Molecular Formula | C7H16N2O |
2'-Aminoacetophenone, 97%
CAS: 551-93-9 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.17 MDL Number: MFCD00007717 InChI Key: GTDQGKWDWVUKTI-UHFFFAOYSA-N Synonym: 2'-aminoacetophenone,1-2-aminophenyl ethanone,o-aminoacetophenone,2-acetylaniline,o-acetylaniline,o-aminoacetylbenzene,1-acetyl-2-aminobenzene,1-2-aminophenyl ethan-1-one,acetophenone, 2'-amino,ethanone, 1-2-aminophenyl PubChem CID: 11086 IUPAC Name: 1-(2-aminophenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1N
| PubChem CID | 11086 |
|---|---|
| CAS | 551-93-9 |
| Molecular Weight (g/mol) | 135.17 |
| MDL Number | MFCD00007717 |
| SMILES | CC(=O)C1=CC=CC=C1N |
| Synonym | 2'-aminoacetophenone,1-2-aminophenyl ethanone,o-aminoacetophenone,2-acetylaniline,o-acetylaniline,o-aminoacetylbenzene,1-acetyl-2-aminobenzene,1-2-aminophenyl ethan-1-one,acetophenone, 2'-amino,ethanone, 1-2-aminophenyl |
| IUPAC Name | 1-(2-aminophenyl)ethanone |
| InChI Key | GTDQGKWDWVUKTI-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO |
2,6-Dichloroindophenol, sodium salt hydrate, 90+%
CAS: 1266615-56-8 Molecular Formula: C12H6Cl2NNaO2 Molecular Weight (g/mol): 290.07 MDL Number: MFCD00150014 InChI Key: CVSUAFOWIXUYQA-UHFFFAOYSA-M Synonym: 2,6-dichloroindophenol sodium salt dihydrate,2,6-dichloro-4-4-hydroxyphenyl azamethylene cyclohexa-2,5-dien-1-one, oxamet hane, oxamethane, sodium salt,c12h6cl2no2.na.2h2o,2,6-dichlorophenol-indophenol sodium salt dihydrate,sodium 4-3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene amino phenolate dihydrate,sodium 4-3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene amino benzenolate dihydrate PubChem CID: 23696612 IUPAC Name: sodium;4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate;dihydrate SMILES: [Na+].[O-]C1=CC=C(C=C1)N=C1C=C(Cl)C(=O)C(Cl)=C1
| PubChem CID | 23696612 |
|---|---|
| CAS | 1266615-56-8 |
| Molecular Weight (g/mol) | 290.07 |
| MDL Number | MFCD00150014 |
| SMILES | [Na+].[O-]C1=CC=C(C=C1)N=C1C=C(Cl)C(=O)C(Cl)=C1 |
| Synonym | 2,6-dichloroindophenol sodium salt dihydrate,2,6-dichloro-4-4-hydroxyphenyl azamethylene cyclohexa-2,5-dien-1-one, oxamet hane, oxamethane, sodium salt,c12h6cl2no2.na.2h2o,2,6-dichlorophenol-indophenol sodium salt dihydrate,sodium 4-3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene amino phenolate dihydrate,sodium 4-3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene amino benzenolate dihydrate |
| IUPAC Name | sodium;4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate;dihydrate |
| InChI Key | CVSUAFOWIXUYQA-UHFFFAOYSA-M |
| Molecular Formula | C12H6Cl2NNaO2 |
Hydrindantin dihydrate, 96%
CAS: 5950-69-6 Molecular Formula: C18H14O8 Molecular Weight (g/mol): 358.29 MDL Number: MFCD00149242 InChI Key: QHVADKNWNMILPQ-HOTGVXAUSA-N Synonym: 2s-2,3,3-trihydroxy-2-2s-1,1,2-trihydroxy-3-oxoinden-2-yl inden-1-one PubChem CID: 6560392 IUPAC Name: (2S)-2,3,3-trihydroxy-2-[(2S)-1,1,2-trihydroxy-3-oxoinden-2-yl]inden-1-one SMILES: C1=CC=C2C(=C1)C(=O)C(C2(O)O)(C3(C(=O)C4=CC=CC=C4C3(O)O)O)O
| PubChem CID | 6560392 |
|---|---|
| CAS | 5950-69-6 |
| Molecular Weight (g/mol) | 358.29 |
| MDL Number | MFCD00149242 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(C2(O)O)(C3(C(=O)C4=CC=CC=C4C3(O)O)O)O |
| Synonym | 2s-2,3,3-trihydroxy-2-2s-1,1,2-trihydroxy-3-oxoinden-2-yl inden-1-one |
| IUPAC Name | (2S)-2,3,3-trihydroxy-2-[(2S)-1,1,2-trihydroxy-3-oxoinden-2-yl]inden-1-one |
| InChI Key | QHVADKNWNMILPQ-HOTGVXAUSA-N |
| Molecular Formula | C18H14O8 |