Organooxygen compounds
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2,4-Dihydroxybenzaldehyde, 98%
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 |
Fluoroacetone, 97%
CAS: 430-51-3 Molecular Formula: C3H5FO Molecular Weight (g/mol): 76.06 MDL Number: MFCD00000451 InChI Key: MSWVMWGCNZQPIA-UHFFFAOYSA-N Synonym: fluoroacetone,1-fluoro-2-propanone,1-fluoroacetone,2-propanone, 1-fluoro,mono-fluoroacetone,acetone, fluoro,1-fluoroacetone #,ch3coch2f,acmc-1bne0 PubChem CID: 9889 IUPAC Name: 1-fluoropropan-2-one SMILES: CC(=O)CF
| PubChem CID | 9889 |
|---|---|
| CAS | 430-51-3 |
| Molecular Weight (g/mol) | 76.06 |
| MDL Number | MFCD00000451 |
| SMILES | CC(=O)CF |
| Synonym | fluoroacetone,1-fluoro-2-propanone,1-fluoroacetone,2-propanone, 1-fluoro,mono-fluoroacetone,acetone, fluoro,1-fluoroacetone #,ch3coch2f,acmc-1bne0 |
| IUPAC Name | 1-fluoropropan-2-one |
| InChI Key | MSWVMWGCNZQPIA-UHFFFAOYSA-N |
| Molecular Formula | C3H5FO |
4,4,4-Trifluoro-1-butanol, 97%
CAS: 461-18-7 Molecular Formula: C4H7F3O Molecular Weight (g/mol): 128.094 MDL Number: MFCD00041483 InChI Key: VKRFUGHXKNNIJO-UHFFFAOYSA-N Synonym: 4,4,4-trifluoro-1-butanol,4,4,4-trifluorobutanol,4,4,4-trifluorobutanol-1,4,4,4-trifluoro-butan-1-ol,1-butanol, 4,4,4-trifluoro,pubchem15240,dl-bicarnesine hydrochloride,ksc237k9h,4,4,4-trifluoro-1-butanol #,4,4,4-tris fluoranyl butan-1-ol PubChem CID: 136307 IUPAC Name: 4,4,4-trifluorobutan-1-ol SMILES: C(CC(F)(F)F)CO
| PubChem CID | 136307 |
|---|---|
| CAS | 461-18-7 |
| Molecular Weight (g/mol) | 128.094 |
| MDL Number | MFCD00041483 |
| SMILES | C(CC(F)(F)F)CO |
| Synonym | 4,4,4-trifluoro-1-butanol,4,4,4-trifluorobutanol,4,4,4-trifluorobutanol-1,4,4,4-trifluoro-butan-1-ol,1-butanol, 4,4,4-trifluoro,pubchem15240,dl-bicarnesine hydrochloride,ksc237k9h,4,4,4-trifluoro-1-butanol #,4,4,4-tris fluoranyl butan-1-ol |
| IUPAC Name | 4,4,4-trifluorobutan-1-ol |
| InChI Key | VKRFUGHXKNNIJO-UHFFFAOYSA-N |
| Molecular Formula | C4H7F3O |
(S)-(+)-2-(6-Methoxy-2-naphthyl)propionic acid, 99%
CAS: 22204-53-1 Molecular Formula: C14H14O3 Molecular Weight (g/mol): 230.263 MDL Number: MFCD00010500 InChI Key: CMWTZPSULFXXJA-VIFPVBQESA-N Synonym: naproxen,s-naproxen,naprosyn,naproxene,+-naproxen,equiproxen,aleve,s-+-2-6-methoxy-2-naphthyl propionic acid,laraflex,naproxeno PubChem CID: 156391 ChEBI: CHEBI:7476 IUPAC Name: (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid SMILES: CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O
| PubChem CID | 156391 |
|---|---|
| CAS | 22204-53-1 |
| Molecular Weight (g/mol) | 230.263 |
| ChEBI | CHEBI:7476 |
| MDL Number | MFCD00010500 |
| SMILES | CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O |
| Synonym | naproxen,s-naproxen,naprosyn,naproxene,+-naproxen,equiproxen,aleve,s-+-2-6-methoxy-2-naphthyl propionic acid,laraflex,naproxeno |
| IUPAC Name | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid |
| InChI Key | CMWTZPSULFXXJA-VIFPVBQESA-N |
| Molecular Formula | C14H14O3 |
4'-Aminoacetophenone, 99%
CAS: 99-92-3 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.17 MDL Number: MFCD00007896 InChI Key: GPRYKVSEZCQIHD-UHFFFAOYSA-N Synonym: 4'-aminoacetophenone,4-aminoacetophenone,1-4-aminophenyl ethanone,p-aminoacetophenone,4-acetylaniline,p-acetylaniline,ethanone, 1-4-aminophenyl,p-aminoacetylbenzene,1-4-aminophenyl ethan-1-one,acetophenone, p-amino PubChem CID: 7468 IUPAC Name: 1-(4-aminophenyl)ethanone SMILES: CC(=O)C1=CC=C(N)C=C1
| PubChem CID | 7468 |
|---|---|
| CAS | 99-92-3 |
| Molecular Weight (g/mol) | 135.17 |
| MDL Number | MFCD00007896 |
| SMILES | CC(=O)C1=CC=C(N)C=C1 |
| Synonym | 4'-aminoacetophenone,4-aminoacetophenone,1-4-aminophenyl ethanone,p-aminoacetophenone,4-acetylaniline,p-acetylaniline,ethanone, 1-4-aminophenyl,p-aminoacetylbenzene,1-4-aminophenyl ethan-1-one,acetophenone, p-amino |
| IUPAC Name | 1-(4-aminophenyl)ethanone |
| InChI Key | GPRYKVSEZCQIHD-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO |
Pregnenolone, 99%, Thermo Scientific Chemicals
CAS: 145-13-1 Molecular Formula: C21H32O2 Molecular Weight (g/mol): 316.47 MDL Number: MFCD00003628 InChI Key: ORNBQBCIOKFOEO-OYZZJKLHSA-N Synonym: 3-hydroxypregn-5-en-20-one PubChem CID: 44307923 IUPAC Name: 1-[(10R,13S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone SMILES: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
| PubChem CID | 44307923 |
|---|---|
| CAS | 145-13-1 |
| Molecular Weight (g/mol) | 316.47 |
| MDL Number | MFCD00003628 |
| SMILES | CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C |
| Synonym | 3-hydroxypregn-5-en-20-one |
| IUPAC Name | 1-[(10R,13S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone |
| InChI Key | ORNBQBCIOKFOEO-OYZZJKLHSA-N |
| Molecular Formula | C21H32O2 |
cis-4-Heptenal, 96%
CAS: 6728-31-0 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.17 MDL Number: MFCD00014682 InChI Key: VVGOCOMZRGWHPI-ARJAWSKDSA-N Synonym: cis-4-heptenal,cis-4-hepten-1-al,z-hept-4-enal,z-4-heptenal,4-heptenal, z,z-4-hepten-1-al,hept-cis-4-enal,unii-5bj99wwp64,4-z-heptenal,hept-4 z-enal PubChem CID: 5362814 IUPAC Name: (Z)-hept-4-enal SMILES: CCC=CCCC=O
| PubChem CID | 5362814 |
|---|---|
| CAS | 6728-31-0 |
| Molecular Weight (g/mol) | 112.17 |
| MDL Number | MFCD00014682 |
| SMILES | CCC=CCCC=O |
| Synonym | cis-4-heptenal,cis-4-hepten-1-al,z-hept-4-enal,z-4-heptenal,4-heptenal, z,z-4-hepten-1-al,hept-cis-4-enal,unii-5bj99wwp64,4-z-heptenal,hept-4 z-enal |
| IUPAC Name | (Z)-hept-4-enal |
| InChI Key | VVGOCOMZRGWHPI-ARJAWSKDSA-N |
| Molecular Formula | C7H12O |
Pyrrole-3-carboxaldehyde, 97%
CAS: 7126-39-8 Molecular Formula: C5H5NO Molecular Weight (g/mol): 95.10 MDL Number: MFCD03426733 InChI Key: CHNYVNOFAWYUEG-UHFFFAOYSA-N Synonym: pyrrole-3-carboxaldehyde,1h-pyrrole-3-carboxaldehyde,pyrrole-3-carbaldehyde,3-formylpyrrole,3-formyl-1h-pyrrole,3-formyl-pyrrole,pyrrol-3-aldehyde,pyrrole-3-aldehyde,pubchem18051,acmc-209oht PubChem CID: 640308 IUPAC Name: 1H-pyrrole-3-carbaldehyde SMILES: O=CC1=CNC=C1
| PubChem CID | 640308 |
|---|---|
| CAS | 7126-39-8 |
| Molecular Weight (g/mol) | 95.10 |
| MDL Number | MFCD03426733 |
| SMILES | O=CC1=CNC=C1 |
| Synonym | pyrrole-3-carboxaldehyde,1h-pyrrole-3-carboxaldehyde,pyrrole-3-carbaldehyde,3-formylpyrrole,3-formyl-1h-pyrrole,3-formyl-pyrrole,pyrrol-3-aldehyde,pyrrole-3-aldehyde,pubchem18051,acmc-209oht |
| IUPAC Name | 1H-pyrrole-3-carbaldehyde |
| InChI Key | CHNYVNOFAWYUEG-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO |
4-Bromo-1-butanol, tech., cont. varying amounts of THF
CAS: 33036-62-3 Molecular Formula: C4H9BrO Molecular Weight (g/mol): 153.019 MDL Number: MFCD00015387 InChI Key: SIJLYRDVTMMSIP-UHFFFAOYSA-N Synonym: 4-bromo-1-butanol,1-butanol, 4-bromo,4-bromobutanol,4-bromo-butan-1-ol,1-bromo-4-hydroxybutane,tetramethylene bromohydrin,4-bromo-n-butanol,1-bromobutan-4-ol,4-bromo butan-1-ol,acmc-1axcv PubChem CID: 118388 IUPAC Name: 4-bromobutan-1-ol SMILES: C(CCBr)CO
| PubChem CID | 118388 |
|---|---|
| CAS | 33036-62-3 |
| Molecular Weight (g/mol) | 153.019 |
| MDL Number | MFCD00015387 |
| SMILES | C(CCBr)CO |
| Synonym | 4-bromo-1-butanol,1-butanol, 4-bromo,4-bromobutanol,4-bromo-butan-1-ol,1-bromo-4-hydroxybutane,tetramethylene bromohydrin,4-bromo-n-butanol,1-bromobutan-4-ol,4-bromo butan-1-ol,acmc-1axcv |
| IUPAC Name | 4-bromobutan-1-ol |
| InChI Key | SIJLYRDVTMMSIP-UHFFFAOYSA-N |
| Molecular Formula | C4H9BrO |
2-Pentyn-1-ol, 98%
CAS: 6261-22-9 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00040915 InChI Key: WLPYSOCRPHTIDZ-UHFFFAOYSA-N Synonym: 2-pentyn-1-ol,2-pentyne-1-ol,2-pentynol,zlchem 1280,pubchem13063,acmc-209n5w,ksc357i0r,2-pentyn-1-01 PubChem CID: 80421 IUPAC Name: pent-2-yn-1-ol SMILES: CCC#CCO
| PubChem CID | 80421 |
|---|---|
| CAS | 6261-22-9 |
| Molecular Weight (g/mol) | 84.118 |
| MDL Number | MFCD00040915 |
| SMILES | CCC#CCO |
| Synonym | 2-pentyn-1-ol,2-pentyne-1-ol,2-pentynol,zlchem 1280,pubchem13063,acmc-209n5w,ksc357i0r,2-pentyn-1-01 |
| IUPAC Name | pent-2-yn-1-ol |
| InChI Key | WLPYSOCRPHTIDZ-UHFFFAOYSA-N |
| Molecular Formula | C5H8O |
2'-Methoxyacetophenone, 99%
CAS: 579-74-8 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00008725 InChI Key: DWPLEOPKBWNPQV-UHFFFAOYSA-N Synonym: 2'-methoxyacetophenone,1-2-methoxyphenyl ethanone,o-methoxyacetophenone,ethanone, 1-2-methoxyphenyl,o-acetylanisole,1-2-methoxyphenyl ethan-1-one,o-acetanisole,2-acetylanisole,2-methyoxyacetophenone oxime,ortho-methoxyacetophenone PubChem CID: 68481 IUPAC Name: 1-(2-methoxyphenyl)ethanone SMILES: COC1=CC=CC=C1C(C)=O
| PubChem CID | 68481 |
|---|---|
| CAS | 579-74-8 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD00008725 |
| SMILES | COC1=CC=CC=C1C(C)=O |
| Synonym | 2'-methoxyacetophenone,1-2-methoxyphenyl ethanone,o-methoxyacetophenone,ethanone, 1-2-methoxyphenyl,o-acetylanisole,1-2-methoxyphenyl ethan-1-one,o-acetanisole,2-acetylanisole,2-methyoxyacetophenone oxime,ortho-methoxyacetophenone |
| IUPAC Name | 1-(2-methoxyphenyl)ethanone |
| InChI Key | DWPLEOPKBWNPQV-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
1,4-Cyclohexanediol, 99%, mixture of cis and trans
CAS: 556-48-9 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00001448,MFCD00063612,MFCD00075462 InChI Key: VKONPUDBRVKQLM-UHFFFAOYSA-N Synonym: 1,4-cyclohexanediol,cis-1,4-cyclohexanediol,trans-1,4-cyclohexanediol,trans-cyclohexane-1,4-diol,quinitol,1,4-cyclohexanediol, trans,cis-cyclohexane-1,4-diol,1,4-cyclohexanediol, cis,trans-1,4-dihydroxycyclohexane,cis-1,4-dihydroxycyclohexane PubChem CID: 11162 IUPAC Name: cyclohexane-1,4-diol SMILES: OC1CCC(O)CC1
| PubChem CID | 11162 |
|---|---|
| CAS | 556-48-9 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00001448,MFCD00063612,MFCD00075462 |
| SMILES | OC1CCC(O)CC1 |
| Synonym | 1,4-cyclohexanediol,cis-1,4-cyclohexanediol,trans-1,4-cyclohexanediol,trans-cyclohexane-1,4-diol,quinitol,1,4-cyclohexanediol, trans,cis-cyclohexane-1,4-diol,1,4-cyclohexanediol, cis,trans-1,4-dihydroxycyclohexane,cis-1,4-dihydroxycyclohexane |
| IUPAC Name | cyclohexane-1,4-diol |
| InChI Key | VKONPUDBRVKQLM-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
(1R,2S,3R,4R)-2,3-Dihydroxy-4-(hydroxymethyl)-1-aminocyclopentane hydrochloride, 95%
CAS: 79200-57-0 Molecular Formula: C6H13NO3·HCl Molecular Weight (g/mol): 183.63 InChI Key: BLTXEPQZAMUGID-ILLHIODVSA-N Synonym: 1r,2s,3r,5r-3-amino-5-hydroxymethyl cyclopentane-1,2-diol hydrochloride,1r,2s,3r,4r-2,3-dihydroxy-4-hydroxymethyl-1-aminocyclopentane hydrochloride,n-4-mesityl-1,3-thiazol-2-yl benzamide,1r,2s,3r,5r-3-amino-5-hydroxymethyl cyclopentane-1,2-diol hcl,1r,2s,3r,4r-2,3-dihydroxy-4-hydroxymethyl-1-am,1r,2s,3r,4r-2,3-dihydroxy-4-hydroxymethyl cyclopentanaminium chloride,1r,2s,3r,4r-2,3-dihydroxy-4-hydroxylmethyl-1-aminocyclopentan hydro-chloride,1r,2s,3r,5r-3-amino-5-hydroxymethyl-cyclopentane-1,2-diol hydrochloride PubChem CID: 2734536 IUPAC Name: (1R,2S,3R,5R)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride SMILES: C1C(C(C(C1N)O)O)CO.Cl
| PubChem CID | 2734536 |
|---|---|
| CAS | 79200-57-0 |
| Molecular Weight (g/mol) | 183.63 |
| SMILES | C1C(C(C(C1N)O)O)CO.Cl |
| Synonym | 1r,2s,3r,5r-3-amino-5-hydroxymethyl cyclopentane-1,2-diol hydrochloride,1r,2s,3r,4r-2,3-dihydroxy-4-hydroxymethyl-1-aminocyclopentane hydrochloride,n-4-mesityl-1,3-thiazol-2-yl benzamide,1r,2s,3r,5r-3-amino-5-hydroxymethyl cyclopentane-1,2-diol hcl,1r,2s,3r,4r-2,3-dihydroxy-4-hydroxymethyl-1-am,1r,2s,3r,4r-2,3-dihydroxy-4-hydroxymethyl cyclopentanaminium chloride,1r,2s,3r,4r-2,3-dihydroxy-4-hydroxylmethyl-1-aminocyclopentan hydro-chloride,1r,2s,3r,5r-3-amino-5-hydroxymethyl-cyclopentane-1,2-diol hydrochloride |
| IUPAC Name | (1R,2S,3R,5R)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride |
| InChI Key | BLTXEPQZAMUGID-ILLHIODVSA-N |
| Molecular Formula | C6H13NO3·HCl |
Bis(2-chloroethyl) ether, 99%
CAS: 111-44-4 Molecular Formula: C4H8Cl2O Molecular Weight (g/mol): 143.01 MDL Number: MFCD00000975 InChI Key: ZNSMNVMLTJELDZ-UHFFFAOYSA-N Synonym: 2-chloroethyl ether,2,2'-dichlorodiethyl ether,bis 2-chloroethyl ether,chlorex,chloroethyl ether,dcee,dichloroether,khloreks,dichloroethyl ether PubChem CID: 8115 ChEBI: CHEBI:34573 IUPAC Name: 1-chloro-2-(2-chloroethoxy)ethane SMILES: ClCCOCCCl
| PubChem CID | 8115 |
|---|---|
| CAS | 111-44-4 |
| Molecular Weight (g/mol) | 143.01 |
| ChEBI | CHEBI:34573 |
| MDL Number | MFCD00000975 |
| SMILES | ClCCOCCCl |
| Synonym | 2-chloroethyl ether,2,2'-dichlorodiethyl ether,bis 2-chloroethyl ether,chlorex,chloroethyl ether,dcee,dichloroether,khloreks,dichloroethyl ether |
| IUPAC Name | 1-chloro-2-(2-chloroethoxy)ethane |
| InChI Key | ZNSMNVMLTJELDZ-UHFFFAOYSA-N |
| Molecular Formula | C4H8Cl2O |
Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)cobalt(II), 99.9% (metals basis)
CAS: 13986-53-3 Molecular Formula: C22H38CoO4 Molecular Weight (g/mol): 425.48 MDL Number: MFCD00233616 InChI Key: KLJJOSZRALJWDS-UHFFFAOYSA-N Synonym: bis 2,2,6,6-tetramethyl-3,5-heptanedionato cobalt ii,cobalt 2+ bis 2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate PubChem CID: 57369563 IUPAC Name: cobalt(2+);2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate SMILES: [Co++].CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C
| PubChem CID | 57369563 |
|---|---|
| CAS | 13986-53-3 |
| Molecular Weight (g/mol) | 425.48 |
| MDL Number | MFCD00233616 |
| SMILES | [Co++].CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C |
| Synonym | bis 2,2,6,6-tetramethyl-3,5-heptanedionato cobalt ii,cobalt 2+ bis 2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate |
| IUPAC Name | cobalt(2+);2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate |
| InChI Key | KLJJOSZRALJWDS-UHFFFAOYSA-N |
| Molecular Formula | C22H38CoO4 |