Organooxygen compounds
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Calcium 2,4-pentanedionate hydrate, 99%
CAS: 345909-31-1 Molecular Formula: C10H14CaO4 Molecular Weight (g/mol): 238.30 MDL Number: MFCD00013486 MFCD00151667 InChI Key: QAZYYQMPRQKMAC-FDGPNNRMSA-L Synonym: calcium bis 4-oxopent-2-en-2-olate hydrate PubChem CID: 16219078 SMILES: [Ca++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O
| PubChem CID | 16219078 |
|---|---|
| CAS | 345909-31-1 |
| Molecular Weight (g/mol) | 238.30 |
| MDL Number | MFCD00013486 MFCD00151667 |
| SMILES | [Ca++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O |
| Synonym | calcium bis 4-oxopent-2-en-2-olate hydrate |
| InChI Key | QAZYYQMPRQKMAC-FDGPNNRMSA-L |
| Molecular Formula | C10H14CaO4 |
4-(Dimethylamino)-1,1-dimethoxybut-3-en-2-one, 97%, Thermo Scientific™
CAS: 67751-23-9 Molecular Formula: C8H15NO3 Molecular Weight (g/mol): 173.212 InChI Key: DFZIBCAWOSFLFR-AATRIKPKSA-N Synonym: 4-dimethylamino-1,1-dimethoxybut-3-en-2-one,e-4-dimethylamino-1,1-dimethoxybut-3-en-2-one,1,1-dimethoxy-4-dimethylaminobut-3-en-2-one,1e-4,4-dimethoxy-3-oxobut-1-en-1-yl dimethylamine,3e-4-dimethylamino-1,1-dimethoxybut-3-en-2-one,e-1,1-dimethoxy-4-dimethylaminobut-3-en-2-one,hcvl@nbfryyuffjjafp,e-4-dimethylamino-1,1-dimethoxy-but-3-en-2,4-dimethylamino-1,1-dimethoxy-3-butene-2-one,e-4-dimethylamino-1,1-dimethoxy-but-3-en-2-one PubChem CID: 5709580 IUPAC Name: (E)-4-(dimethylamino)-1,1-dimethoxybut-3-en-2-one SMILES: CN(C)C=CC(=O)C(OC)OC
| PubChem CID | 5709580 |
|---|---|
| CAS | 67751-23-9 |
| Molecular Weight (g/mol) | 173.212 |
| SMILES | CN(C)C=CC(=O)C(OC)OC |
| Synonym | 4-dimethylamino-1,1-dimethoxybut-3-en-2-one,e-4-dimethylamino-1,1-dimethoxybut-3-en-2-one,1,1-dimethoxy-4-dimethylaminobut-3-en-2-one,1e-4,4-dimethoxy-3-oxobut-1-en-1-yl dimethylamine,3e-4-dimethylamino-1,1-dimethoxybut-3-en-2-one,e-1,1-dimethoxy-4-dimethylaminobut-3-en-2-one,hcvl@nbfryyuffjjafp,e-4-dimethylamino-1,1-dimethoxy-but-3-en-2,4-dimethylamino-1,1-dimethoxy-3-butene-2-one,e-4-dimethylamino-1,1-dimethoxy-but-3-en-2-one |
| IUPAC Name | (E)-4-(dimethylamino)-1,1-dimethoxybut-3-en-2-one |
| InChI Key | DFZIBCAWOSFLFR-AATRIKPKSA-N |
| Molecular Formula | C8H15NO3 |
Ethyl trans-4-oxo-2-butenoate, 96%
CAS: 2960-66-9 Molecular Formula: C6H8O3 Molecular Weight (g/mol): 128.127 MDL Number: MFCD00236170 InChI Key: SDGAEBKMHIPSAC-ONEGZZNKSA-N Synonym: ethyl trans-4-oxo-2-butenoate,ethyl 4-oxobut-2-enoate,e-ethyl 4-oxobut-2-enoate,ethyl e-4-oxobut-2-enoate,ethyl 2e-4-oxobut-2-enoate,e-4-oxo-but-2-enoic acid ethyl ester,2-butenoic acid, 4-oxo-, ethyl ester, 2e,ethyl fumaraldehydate,ethyl 3-formylacrylate,ethyl-e-4-oxobutenoate PubChem CID: 7019541 IUPAC Name: ethyl (E)-4-oxobut-2-enoate SMILES: CCOC(=O)C=CC=O
| PubChem CID | 7019541 |
|---|---|
| CAS | 2960-66-9 |
| Molecular Weight (g/mol) | 128.127 |
| MDL Number | MFCD00236170 |
| SMILES | CCOC(=O)C=CC=O |
| Synonym | ethyl trans-4-oxo-2-butenoate,ethyl 4-oxobut-2-enoate,e-ethyl 4-oxobut-2-enoate,ethyl e-4-oxobut-2-enoate,ethyl 2e-4-oxobut-2-enoate,e-4-oxo-but-2-enoic acid ethyl ester,2-butenoic acid, 4-oxo-, ethyl ester, 2e,ethyl fumaraldehydate,ethyl 3-formylacrylate,ethyl-e-4-oxobutenoate |
| IUPAC Name | ethyl (E)-4-oxobut-2-enoate |
| InChI Key | SDGAEBKMHIPSAC-ONEGZZNKSA-N |
| Molecular Formula | C6H8O3 |
Manganese(II) 2,4-pentanedionate
CAS: 14024-58-9 Molecular Formula: C10H14MnO4 Molecular Weight (g/mol): 253.16 MDL Number: MFCD00000022 MFCD09998212 InChI Key: ZQZQURFYFJBOCE-FDGPNNRMSA-L Synonym: bis 4-hydroxypent-3-en-2-one dihydrate manganese PubChem CID: 54669727 IUPAC Name: (Z)-4-hydroxypent-3-en-2-one;manganese;dihydrate SMILES: [Mn++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O
| PubChem CID | 54669727 |
|---|---|
| CAS | 14024-58-9 |
| Molecular Weight (g/mol) | 253.16 |
| MDL Number | MFCD00000022 MFCD09998212 |
| SMILES | [Mn++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O |
| Synonym | bis 4-hydroxypent-3-en-2-one dihydrate manganese |
| IUPAC Name | (Z)-4-hydroxypent-3-en-2-one;manganese;dihydrate |
| InChI Key | ZQZQURFYFJBOCE-FDGPNNRMSA-L |
| Molecular Formula | C10H14MnO4 |
1-Hexen-3-one, 90+%, stab. with 0.5% 4-methoxyphenol
CAS: 1629-60-3 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.145 MDL Number: MFCD00051563 InChI Key: JTHNLKXLWOXOQK-UHFFFAOYSA-N Synonym: 1-hexen-3-one,propyl vinyl ketone,unii-qh9d98z86n,1-hexenone-3,n-propylacrolein,vinyl propyl ketone,acmc-1bt5f,1-hexene-3-one PubChem CID: 15395 IUPAC Name: hex-1-en-3-one SMILES: CCCC(=O)C=C
| PubChem CID | 15395 |
|---|---|
| CAS | 1629-60-3 |
| Molecular Weight (g/mol) | 98.145 |
| MDL Number | MFCD00051563 |
| SMILES | CCCC(=O)C=C |
| Synonym | 1-hexen-3-one,propyl vinyl ketone,unii-qh9d98z86n,1-hexenone-3,n-propylacrolein,vinyl propyl ketone,acmc-1bt5f,1-hexene-3-one |
| IUPAC Name | hex-1-en-3-one |
| InChI Key | JTHNLKXLWOXOQK-UHFFFAOYSA-N |
| Molecular Formula | C6H10O |
3-Amino-2-methylacrylaldehyde, 97%, Thermo Scientific™
CAS: 30989-81-2 Molecular Formula: C4H7NO Molecular Weight (g/mol): 85.106 MDL Number: MFCD01566866 InChI Key: OEZAAXHZEMTBOV-DUXPYHPUSA-N Synonym: 3-amino-2-methylacrylaldehyde,3-amino-2-methylacrolein,2e-3-amino-2-methylprop-2-enal,amino-alpha-methylacrolein,e-3-amino-2-methylprop-2-enal,3-amino-2-methyl acrylaldehyde,2-propenal, 3-amino-2-methyl-, e PubChem CID: 637539 IUPAC Name: (E)-3-amino-2-methylprop-2-enal SMILES: CC(=CN)C=O
| PubChem CID | 637539 |
|---|---|
| CAS | 30989-81-2 |
| Molecular Weight (g/mol) | 85.106 |
| MDL Number | MFCD01566866 |
| SMILES | CC(=CN)C=O |
| Synonym | 3-amino-2-methylacrylaldehyde,3-amino-2-methylacrolein,2e-3-amino-2-methylprop-2-enal,amino-alpha-methylacrolein,e-3-amino-2-methylprop-2-enal,3-amino-2-methyl acrylaldehyde,2-propenal, 3-amino-2-methyl-, e |
| IUPAC Name | (E)-3-amino-2-methylprop-2-enal |
| InChI Key | OEZAAXHZEMTBOV-DUXPYHPUSA-N |
| Molecular Formula | C4H7NO |
alpha-Ionone, 90+%
CAS: 127-41-3 Molecular Formula: C13H20O Molecular Weight (g/mol): 192.30 MDL Number: MFCD00001565 InChI Key: UZFLPKAIBPNNCA-BQYQJAHWNA-N Synonym: alpha-ionone,iraldeine,e-alpha-ionone,irisone,alpha-ionon,trans-alpha-ionone,alpha-e-ionone,alpha-ionone natural,beta-lonone,ionone, alpha PubChem CID: 5282108 ChEBI: CHEBI:32319 IUPAC Name: (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one SMILES: CC(=O)\C=C\C1C(C)=CCCC1(C)C
| PubChem CID | 5282108 |
|---|---|
| CAS | 127-41-3 |
| Molecular Weight (g/mol) | 192.30 |
| ChEBI | CHEBI:32319 |
| MDL Number | MFCD00001565 |
| SMILES | CC(=O)\C=C\C1C(C)=CCCC1(C)C |
| Synonym | alpha-ionone,iraldeine,e-alpha-ionone,irisone,alpha-ionon,trans-alpha-ionone,alpha-e-ionone,alpha-ionone natural,beta-lonone,ionone, alpha |
| IUPAC Name | (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one |
| InChI Key | UZFLPKAIBPNNCA-BQYQJAHWNA-N |
| Molecular Formula | C13H20O |
Lead(II) 2,4-pentanedionate
CAS: 15282-88-9 Molecular Formula: C10H14O4Pb Molecular Weight (g/mol): 405.418 MDL Number: MFCD00013499 InChI Key: UNNUWSQNTAFLDC-SYWGCQIGSA-L Synonym: lead ii acetylacetonate,2,4-pentanedione lead ii derivative PubChem CID: 53393517 IUPAC Name: bis[[(E)-4-oxopent-2-en-2-yl]oxy]lead SMILES: CC(=CC(=O)C)O[Pb]OC(=CC(=O)C)C
| PubChem CID | 53393517 |
|---|---|
| CAS | 15282-88-9 |
| Molecular Weight (g/mol) | 405.418 |
| MDL Number | MFCD00013499 |
| SMILES | CC(=CC(=O)C)O[Pb]OC(=CC(=O)C)C |
| Synonym | lead ii acetylacetonate,2,4-pentanedione lead ii derivative |
| IUPAC Name | bis[[(E)-4-oxopent-2-en-2-yl]oxy]lead |
| InChI Key | UNNUWSQNTAFLDC-SYWGCQIGSA-L |
| Molecular Formula | C10H14O4Pb |
Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)lanthanum(III), 98%
CAS: 14319-13-2 Molecular Formula: C33H60LaO6 Molecular Weight (g/mol): 691.742 MDL Number: MFCD00010466 InChI Key: VTNJXVDFRGBYJC-LWTKGLMZSA-N Synonym: Lanthanum(III)-DPM; La(TMHD)3 PubChem CID: 72376397 IUPAC Name: (Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;lanthanum SMILES: CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.[La]
| PubChem CID | 72376397 |
|---|---|
| CAS | 14319-13-2 |
| Molecular Weight (g/mol) | 691.742 |
| MDL Number | MFCD00010466 |
| SMILES | CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.[La] |
| Synonym | Lanthanum(III)-DPM; La(TMHD)3 |
| IUPAC Name | (Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;lanthanum |
| InChI Key | VTNJXVDFRGBYJC-LWTKGLMZSA-N |
| Molecular Formula | C33H60LaO6 |
2-Phenyl-3-butyn-2-ol, 98%
CAS: 127-66-2 Molecular Formula: C10H10O Molecular Weight (g/mol): 146.189 MDL Number: MFCD00004454 InChI Key: KSLSOBUAIFEGLT-UHFFFAOYSA-N Synonym: 2-phenyl-3-butyn-2-ol,methylphenylethynylcarbinol,3-hydroxy-3-phenyl-1-butyne,3-butyn-2-ol, 2-phenyl,3-phenyl-butin-1-ol-3,alpha-ethynyl-alpha-methylbenzyl alcohol,alpha-ethynyl-alpha-methylbenzenemethanol,benzenemethanol, .alpha.-ethynyl-.alpha.-methyl,3-phenyl-butin-1-ol-3 german,benzenemethanol, alpha-ethynyl-alpha-methyl PubChem CID: 92098 IUPAC Name: 2-phenylbut-3-yn-2-ol SMILES: CC(C#C)(C1=CC=CC=C1)O
| PubChem CID | 92098 |
|---|---|
| CAS | 127-66-2 |
| Molecular Weight (g/mol) | 146.189 |
| MDL Number | MFCD00004454 |
| SMILES | CC(C#C)(C1=CC=CC=C1)O |
| Synonym | 2-phenyl-3-butyn-2-ol,methylphenylethynylcarbinol,3-hydroxy-3-phenyl-1-butyne,3-butyn-2-ol, 2-phenyl,3-phenyl-butin-1-ol-3,alpha-ethynyl-alpha-methylbenzyl alcohol,alpha-ethynyl-alpha-methylbenzenemethanol,benzenemethanol, .alpha.-ethynyl-.alpha.-methyl,3-phenyl-butin-1-ol-3 german,benzenemethanol, alpha-ethynyl-alpha-methyl |
| IUPAC Name | 2-phenylbut-3-yn-2-ol |
| InChI Key | KSLSOBUAIFEGLT-UHFFFAOYSA-N |
| Molecular Formula | C10H10O |
1-(3-Chloro-2-hydroxyphenyl)ethan-1-one, 97%, Thermo Scientific™
CAS: 3226-34-4 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.59 MDL Number: MFCD00100492 InChI Key: GBWVDQBTXFIIJF-UHFFFAOYSA-N Synonym: 1-3-chloro-2-hydroxyphenyl ethanone,1-3-chloro-2-hydroxyphenyl ethan-1-one,3'-chloro-2'-hydroxyacetophenone,ethanone,1-3-chloro-2-hydroxyphenyl,2'-hydroxy-3'-chloroacetophenone,2'-hydroxy-3'-chloro acetophenone,1-3-chloro-2-hydroxyphenyl-ethanone,1-3-chloro-2-hydroxy-phenyl-ethanone,1-3-chloro-2-hydroxyphenyl ethanone #,2 inverted exclamation mark-hydroxy-3-chloroacetophenone PubChem CID: 593414 IUPAC Name: 1-(3-chloro-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=C(O)C(Cl)=CC=C1
| PubChem CID | 593414 |
|---|---|
| CAS | 3226-34-4 |
| Molecular Weight (g/mol) | 170.59 |
| MDL Number | MFCD00100492 |
| SMILES | CC(=O)C1=C(O)C(Cl)=CC=C1 |
| Synonym | 1-3-chloro-2-hydroxyphenyl ethanone,1-3-chloro-2-hydroxyphenyl ethan-1-one,3'-chloro-2'-hydroxyacetophenone,ethanone,1-3-chloro-2-hydroxyphenyl,2'-hydroxy-3'-chloroacetophenone,2'-hydroxy-3'-chloro acetophenone,1-3-chloro-2-hydroxyphenyl-ethanone,1-3-chloro-2-hydroxy-phenyl-ethanone,1-3-chloro-2-hydroxyphenyl ethanone #,2 inverted exclamation mark-hydroxy-3-chloroacetophenone |
| IUPAC Name | 1-(3-chloro-2-hydroxyphenyl)ethanone |
| InChI Key | GBWVDQBTXFIIJF-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO2 |
4-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde, 90%, Thermo Scientific™
CAS: 876316-27-7 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.186 MDL Number: MFCD09025865 InChI Key: AEMXYVCSLPLJOW-UHFFFAOYSA-N Synonym: 4-3-methyl-1,2,4-oxadiazol-5-yl benzaldehyde,3-methyl-5-4-formylphenyl-1,2,4-oxadiazole,benzaldehyde,4-3-methyl-1,2,4-oxadiazol-5-yl PubChem CID: 18525855 IUPAC Name: 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde SMILES: CC1=NOC(=N1)C2=CC=C(C=C2)C=O
| PubChem CID | 18525855 |
|---|---|
| CAS | 876316-27-7 |
| Molecular Weight (g/mol) | 188.186 |
| MDL Number | MFCD09025865 |
| SMILES | CC1=NOC(=N1)C2=CC=C(C=C2)C=O |
| Synonym | 4-3-methyl-1,2,4-oxadiazol-5-yl benzaldehyde,3-methyl-5-4-formylphenyl-1,2,4-oxadiazole,benzaldehyde,4-3-methyl-1,2,4-oxadiazol-5-yl |
| IUPAC Name | 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde |
| InChI Key | AEMXYVCSLPLJOW-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2O2 |
4-[(6-Methylpyrazin-2-yl)oxy]benzaldehyde, 97%, Thermo Scientific™
CAS: 906353-01-3 Molecular Formula: C12H10N2O2 Molecular Weight (g/mol): 214.22 MDL Number: MFCD09817531 InChI Key: VUPYANPNFUPQQU-UHFFFAOYSA-N Synonym: 4-6-methylpyrazin-2-yl oxy benzaldehyde,4-6-methylpyrazin-2-yloxy benzaldehyde PubChem CID: 24229689 IUPAC Name: 4-(6-methylpyrazin-2-yl)oxybenzaldehyde SMILES: CC1=CN=CC(OC2=CC=C(C=O)C=C2)=N1
| PubChem CID | 24229689 |
|---|---|
| CAS | 906353-01-3 |
| Molecular Weight (g/mol) | 214.22 |
| MDL Number | MFCD09817531 |
| SMILES | CC1=CN=CC(OC2=CC=C(C=O)C=C2)=N1 |
| Synonym | 4-6-methylpyrazin-2-yl oxy benzaldehyde,4-6-methylpyrazin-2-yloxy benzaldehyde |
| IUPAC Name | 4-(6-methylpyrazin-2-yl)oxybenzaldehyde |
| InChI Key | VUPYANPNFUPQQU-UHFFFAOYSA-N |
| Molecular Formula | C12H10N2O2 |
D-Isoascorbic acid, 100.01%, 98%, MP Biomedicals™
CAS: 89-65-6 Molecular Formula: C6H7NaO6 Molecular Weight (g/mol): 198.11 MDL Number: MFCD00005378 InChI Key: IFVCRSPJFHGFCG-HXPAKLQESA-N Synonym: erythorbic acid,isoascorbic acid,d-araboascorbic acid,d-isoascorbic acid,araboascorbic acid,d-erythorbic acid,isovitamin c,neo-cebicure,saccharosonic acid,mercate 5 PubChem CID: 54675810 ChEBI: CHEBI:51438 IUPAC Name: sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2,4-dioxooxolan-3-ide SMILES: [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O
| PubChem CID | 54675810 |
|---|---|
| CAS | 89-65-6 |
| Molecular Weight (g/mol) | 198.11 |
| ChEBI | CHEBI:51438 |
| MDL Number | MFCD00005378 |
| SMILES | [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O |
| Synonym | erythorbic acid,isoascorbic acid,d-araboascorbic acid,d-isoascorbic acid,araboascorbic acid,d-erythorbic acid,isovitamin c,neo-cebicure,saccharosonic acid,mercate 5 |
| IUPAC Name | sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2,4-dioxooxolan-3-ide |
| InChI Key | IFVCRSPJFHGFCG-HXPAKLQESA-N |
| Molecular Formula | C6H7NaO6 |
Glyceryl Monooleate, MP Biomedicals
CAS: 25496-72-4 Molecular Formula: C21H40O4 Molecular Weight (g/mol): 356.55 MDL Number: MFCD00067258,MFCD00042735,MFCD00069635 InChI Key: RZRNAYUHWVFMIP-KTKRTIGZNA-N Synonym: monoelaidin,1-monoelaidin,dl-alpha-monoolein,2,3-dihydroxypropyl elaidate,glycerol monooleate,9-octadecenoic acid, 2,3-dihydroxypropyl ester, e,2,3-dihydroxypropyl 9e-octadec-9-enoate,1-elaidoylglycerol,arlacel tm 186,glycerol-1-monooleate PubChem CID: 5364833 IUPAC Name: 2,3-dihydroxypropyl (9Z)-octadec-9-enoate SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)CO
| PubChem CID | 5364833 |
|---|---|
| CAS | 25496-72-4 |
| Molecular Weight (g/mol) | 356.55 |
| MDL Number | MFCD00067258,MFCD00042735,MFCD00069635 |
| SMILES | CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)CO |
| Synonym | monoelaidin,1-monoelaidin,dl-alpha-monoolein,2,3-dihydroxypropyl elaidate,glycerol monooleate,9-octadecenoic acid, 2,3-dihydroxypropyl ester, e,2,3-dihydroxypropyl 9e-octadec-9-enoate,1-elaidoylglycerol,arlacel tm 186,glycerol-1-monooleate |
| IUPAC Name | 2,3-dihydroxypropyl (9Z)-octadec-9-enoate |
| InChI Key | RZRNAYUHWVFMIP-KTKRTIGZNA-N |
| Molecular Formula | C21H40O4 |