
Organooxygen compounds
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Ethyl isobutyrylacetate, 95%
CAS: 7152-15-0 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.2 MDL Number: MFCD00009198 InChI Key: XCLDSQRVMMXWMS-UHFFFAOYSA-N Synonym: ethyl isobutyrylacetate,4-methyl-3-oxo-pentanoic acid ethyl ester,pentanoic acid, 4-methyl-3-oxo-, ethyl ester,ethyl isobutyroylacetate,valeric acid, 4-methyl-3-oxo-, ethyl ester,.gamma.,.gamma.-dimethylacetoacetic acid ethyl ester,beta-keto-gamma-methylvaleric acid ethyl ester,ethyl alpha-isobutyroylacetate,ethylisobutyrylacetate,ethyl iso-butyrylacetate PubChem CID: 81583 IUPAC Name: ethyl 4-methyl-3-oxopentanoate SMILES: CCOC(=O)CC(=O)C(C)C

PubChem CID | 81583 |
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CAS | 7152-15-0 |
Molecular Weight (g/mol) | 158.2 |
MDL Number | MFCD00009198 |
SMILES | CCOC(=O)CC(=O)C(C)C |
Synonym | ethyl isobutyrylacetate,4-methyl-3-oxo-pentanoic acid ethyl ester,pentanoic acid, 4-methyl-3-oxo-, ethyl ester,ethyl isobutyroylacetate,valeric acid, 4-methyl-3-oxo-, ethyl ester,.gamma.,.gamma.-dimethylacetoacetic acid ethyl ester,beta-keto-gamma-methylvaleric acid ethyl ester,ethyl alpha-isobutyroylacetate,ethylisobutyrylacetate,ethyl iso-butyrylacetate |
IUPAC Name | ethyl 4-methyl-3-oxopentanoate |
InChI Key | XCLDSQRVMMXWMS-UHFFFAOYSA-N |
Molecular Formula | C8H14O3 |
10-Bromo-1-decanol, 95%
CAS: 53463-68-6 Molecular Formula: C10H21BrO Molecular Weight (g/mol): 237.18 MDL Number: MFCD00041681 InChI Key: LGZMUUBPTDRQQM-UHFFFAOYSA-N Synonym: 10-bromo-1-decanol,10-bromodecanol,1-decanol, 10-bromo,10-hydroxy-1-bromo decane,1-bromodecan-10-ol,10-bromodecane-1-ol,10-bromo-decan-1-ol,decamethylene bromohydrin,10-hydroxy1-bromo decane,acmc-209l7p PubChem CID: 104507 IUPAC Name: 10-bromodecan-1-ol SMILES: OCCCCCCCCCCBr

PubChem CID | 104507 |
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CAS | 53463-68-6 |
Molecular Weight (g/mol) | 237.18 |
MDL Number | MFCD00041681 |
SMILES | OCCCCCCCCCCBr |
Synonym | 10-bromo-1-decanol,10-bromodecanol,1-decanol, 10-bromo,10-hydroxy-1-bromo decane,1-bromodecan-10-ol,10-bromodecane-1-ol,10-bromo-decan-1-ol,decamethylene bromohydrin,10-hydroxy1-bromo decane,acmc-209l7p |
IUPAC Name | 10-bromodecan-1-ol |
InChI Key | LGZMUUBPTDRQQM-UHFFFAOYSA-N |
Molecular Formula | C10H21BrO |
4'-Chloro-2'-hydroxyacetophenone, 97%
CAS: 6921-66-0 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.59 InChI Key: QCVSDCHNBNFJDQ-UHFFFAOYSA-N Synonym: 1-4-chloro-2-hydroxyphenyl ethanone,4'-chloro-2'-hydroxyacetophenone,4-chloro-2-hydroxyacetophenone,1-4-chloro-2-hydroxyphenyl ethan-1-one,2'-hydroxy-4'-chloroacetophenone,1-4-chloro-2-hydroxy-phenyl ethanone,ethanone, 1-4-chloro-2-hydroxyphenyl,4'-chloro-2'-hydroxy-acetophenone,ethanone,1-4-chloro-2-hydroxyphenyl 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 |
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CAS | 6921-66-0 |
Molecular Weight (g/mol) | 170.59 |
SMILES | CC(=O)C1=C(C=C(C=C1)Cl)O |
Synonym | 1-4-chloro-2-hydroxyphenyl ethanone,4'-chloro-2'-hydroxyacetophenone,4-chloro-2-hydroxyacetophenone,1-4-chloro-2-hydroxyphenyl ethan-1-one,2'-hydroxy-4'-chloroacetophenone,1-4-chloro-2-hydroxy-phenyl ethanone,ethanone, 1-4-chloro-2-hydroxyphenyl,4'-chloro-2'-hydroxy-acetophenone,ethanone,1-4-chloro-2-hydroxyphenyl |
IUPAC Name | 1-(4-chloro-2-hydroxyphenyl)ethanone |
InChI Key | QCVSDCHNBNFJDQ-UHFFFAOYSA-N |
Molecular Formula | C8H7ClO2 |
3,5-Diiodosalicylaldehyde, 97%
CAS: 2631-77-8 Molecular Formula: C7H4I2O2 Molecular Weight (g/mol): 373.92 InChI Key: MYWSBJKVOUZCIA-UHFFFAOYSA-N Synonym: 3,5-diiodosalicylaldehyde,benzaldehyde, 2-hydroxy-3,5-diiodo,3,5-diiodo-2-hydroxybenzaldehyde,2-hydroxy-3,5-diiodo-benzaldehyde,acmc-20ancp,3,5-diodosolicylaldehyde,2,4-diiodo-6-formylphenol,#,benzaldehyde,2-hydroxy-3,5-diiodo PubChem CID: 75829 IUPAC Name: 2-hydroxy-3,5-diiodobenzaldehyde SMILES: C1=C(C=C(C(=C1I)O)C=O)I

PubChem CID | 75829 |
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CAS | 2631-77-8 |
Molecular Weight (g/mol) | 373.92 |
SMILES | C1=C(C=C(C(=C1I)O)C=O)I |
Synonym | 3,5-diiodosalicylaldehyde,benzaldehyde, 2-hydroxy-3,5-diiodo,3,5-diiodo-2-hydroxybenzaldehyde,2-hydroxy-3,5-diiodo-benzaldehyde,acmc-20ancp,3,5-diodosolicylaldehyde,2,4-diiodo-6-formylphenol,#,benzaldehyde,2-hydroxy-3,5-diiodo |
IUPAC Name | 2-hydroxy-3,5-diiodobenzaldehyde |
InChI Key | MYWSBJKVOUZCIA-UHFFFAOYSA-N |
Molecular Formula | C7H4I2O2 |
3,5-Di-tert-butylsalicaldehyde, 99%
CAS: 37942-07-7 Molecular Formula: C15H22O2 Molecular Weight (g/mol): 234.34 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 |
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CAS | 37942-07-7 |
Molecular Weight (g/mol) | 234.34 |
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 |
1H-Indole-2-methanol, 96%
CAS: 24621-70-3 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.17 InChI Key: XEEANGGQJOWRTG-UHFFFAOYSA-N Synonym: 1h-indol-2-yl methanol,1h-indole-2-methanol,1h-indol-2-yl-methanol,2-hydroxymethylindole,2-hydroxymethyl indole,hydroxymethylindol,2-indolemethanol,indole-2-methanol,indol-2-ylmethan-1-ol PubChem CID: 98783 IUPAC Name: 1H-indol-2-ylmethanol SMILES: C1=CC=C2C(=C1)C=C(N2)CO

PubChem CID | 98783 |
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CAS | 24621-70-3 |
Molecular Weight (g/mol) | 147.17 |
SMILES | C1=CC=C2C(=C1)C=C(N2)CO |
Synonym | 1h-indol-2-yl methanol,1h-indole-2-methanol,1h-indol-2-yl-methanol,2-hydroxymethylindole,2-hydroxymethyl indole,hydroxymethylindol,2-indolemethanol,indole-2-methanol,indol-2-ylmethan-1-ol |
IUPAC Name | 1H-indol-2-ylmethanol |
InChI Key | XEEANGGQJOWRTG-UHFFFAOYSA-N |
Molecular Formula | C9H9NO |
5-Methoxypsoralen, 98%
CAS: 484-20-8 Molecular Formula: C12H8O4 Molecular Weight (g/mol): 216.19 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 |
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CAS | 484-20-8 |
Molecular Weight (g/mol) | 216.19 |
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 |
Acrolein diethyl acetal, 94%
CAS: 3054-95-3 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00009239 InChI Key: MCIPQLOKVXSHTD-UHFFFAOYSA-N Synonym: acrolein diethyl acetal,acrolein diethylacetal,acrolein acetal,3,3-diethoxy-1-propene,1-propene, 3,3-diethoxy,propenal diethyl acetal,3,3-diethoxypropene,1,1-diethoxy-2-propene,acrolein, diethyl acetal,acrylaldehyde diethyl acetal PubChem CID: 62477 IUPAC Name: 3,3-diethoxyprop-1-ene SMILES: CCOC(C=C)OCC

PubChem CID | 62477 |
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CAS | 3054-95-3 |
Molecular Weight (g/mol) | 130.19 |
MDL Number | MFCD00009239 |
SMILES | CCOC(C=C)OCC |
Synonym | acrolein diethyl acetal,acrolein diethylacetal,acrolein acetal,3,3-diethoxy-1-propene,1-propene, 3,3-diethoxy,propenal diethyl acetal,3,3-diethoxypropene,1,1-diethoxy-2-propene,acrolein, diethyl acetal,acrylaldehyde diethyl acetal |
IUPAC Name | 3,3-diethoxyprop-1-ene |
InChI Key | MCIPQLOKVXSHTD-UHFFFAOYSA-N |
Molecular Formula | C7H14O2 |
3-Mercapto-1,2-propanediol, 90 wt% aqueous solution
CAS: 96-27-5,7732-18-5 Molecular Formula: C3H8O2S Molecular Weight (g/mol): 108.16 MDL Number: MFCD00004879 InChI Key: PJUIMOJAAPLTRJ-UHFFFAOYNA-N Synonym: 3-mercapto-1,2-propanediol,monothioglycerol,1-thioglycerol,thioglycerol,thioglycerine,thioglycerin,thiovanol,3-mercaptopropane-1,2-diol,alpha-thioglycerol,glycerol-1-thiol PubChem CID: 7291 ChEBI: CHEBI:74537 IUPAC Name: 3-sulfanylpropane-1,2-diol SMILES: OCC(O)CS

PubChem CID | 7291 |
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CAS | 96-27-5,7732-18-5 |
Molecular Weight (g/mol) | 108.16 |
ChEBI | CHEBI:74537 |
MDL Number | MFCD00004879 |
SMILES | OCC(O)CS |
Synonym | 3-mercapto-1,2-propanediol,monothioglycerol,1-thioglycerol,thioglycerol,thioglycerine,thioglycerin,thiovanol,3-mercaptopropane-1,2-diol,alpha-thioglycerol,glycerol-1-thiol |
IUPAC Name | 3-sulfanylpropane-1,2-diol |
InChI Key | PJUIMOJAAPLTRJ-UHFFFAOYNA-N |
Molecular Formula | C3H8O2S |
Methoxyacetonitrile, 98%
CAS: 1738-36-9 Molecular Formula: C3H5NO Molecular Weight (g/mol): 71.08 MDL Number: MFCD00001892 InChI Key: QKPVEISEHYYHRH-UHFFFAOYSA-N PubChem CID: 74442 IUPAC Name: 2-methoxyacetonitrile SMILES: COCC#N

PubChem CID | 74442 |
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CAS | 1738-36-9 |
Molecular Weight (g/mol) | 71.08 |
MDL Number | MFCD00001892 |
SMILES | COCC#N |
IUPAC Name | 2-methoxyacetonitrile |
InChI Key | QKPVEISEHYYHRH-UHFFFAOYSA-N |
Molecular Formula | C3H5NO |
4'-Methoxypropiophenone, 99%
CAS: 121-97-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.2 MDL Number: MFCD00009310 InChI Key: ZJVAWPKTWVFKHG-UHFFFAOYSA-N PubChem CID: 67144 IUPAC Name: 1-(4-methoxyphenyl)propan-1-one SMILES: CCC(=O)C1=CC=C(C=C1)OC

PubChem CID | 67144 |
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CAS | 121-97-1 |
Molecular Weight (g/mol) | 164.2 |
MDL Number | MFCD00009310 |
SMILES | CCC(=O)C1=CC=C(C=C1)OC |
IUPAC Name | 1-(4-methoxyphenyl)propan-1-one |
InChI Key | ZJVAWPKTWVFKHG-UHFFFAOYSA-N |
Molecular Formula | C10H12O2 |
3-Carboxybenzaldehyde, 98%
CAS: 619-21-6 MDL Number: MFCD00039575 InChI Key: UHDNUPHSDMOGCR-UHFFFAOYSA-N Synonym: 3-carboxybenzaldehyde,benzoic acid, 3-formyl,m-formyl benzoic acid,3-formyl benzoic acid,3-formyl-benzoic acid,unii-hb95grm95d,m-carboxybenzaldehyde,hb95grm95d,3-formylbenzoicacid,isophthalaldehydsaure PubChem CID: 12077 IUPAC Name: 3-formylbenzoic acid SMILES: C1=CC(=CC(=C1)C(=O)O)C=O

PubChem CID | 12077 |
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CAS | 619-21-6 |
MDL Number | MFCD00039575 |
SMILES | C1=CC(=CC(=C1)C(=O)O)C=O |
Synonym | 3-carboxybenzaldehyde,benzoic acid, 3-formyl,m-formyl benzoic acid,3-formyl benzoic acid,3-formyl-benzoic acid,unii-hb95grm95d,m-carboxybenzaldehyde,hb95grm95d,3-formylbenzoicacid,isophthalaldehydsaure |
IUPAC Name | 3-formylbenzoic acid |
InChI Key | UHDNUPHSDMOGCR-UHFFFAOYSA-N |
1-Dimethylamino-but-1-en-3-one, 98%
CAS: 2802-08-6 Molecular Formula: C6H11NO Molecular Weight (g/mol): 113.16 MDL Number: MFCD00142611 InChI Key: QPWSKIGAQZAJKS-SNAWJCMRSA-N Synonym: e-4-dimethylamino but-3-en-2-one,trans-4-dimethylamino-3-buten-2-one,4-dimethylamino but-3-en-2-one,3e-4-dimethylamino but-3-en-2-one,1-dimethylamino-but-1-en-3-one,4-dimethylamino-3-buten-2-one,3e-4-dimethylamino-3-buten-2-one,3-buten-2-one, 4-dimethylamino-, 3e,3-buten-2-one, 4-dimethylamino,3-buten-2-one, 4-dimethylamino-, 3e-9ci PubChem CID: 5369152 IUPAC Name: (E)-4-(dimethylamino)but-3-en-2-one SMILES: CC(=O)C=CN(C)C

PubChem CID | 5369152 |
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CAS | 2802-08-6 |
Molecular Weight (g/mol) | 113.16 |
MDL Number | MFCD00142611 |
SMILES | CC(=O)C=CN(C)C |
Synonym | e-4-dimethylamino but-3-en-2-one,trans-4-dimethylamino-3-buten-2-one,4-dimethylamino but-3-en-2-one,3e-4-dimethylamino but-3-en-2-one,1-dimethylamino-but-1-en-3-one,4-dimethylamino-3-buten-2-one,3e-4-dimethylamino-3-buten-2-one,3-buten-2-one, 4-dimethylamino-, 3e,3-buten-2-one, 4-dimethylamino,3-buten-2-one, 4-dimethylamino-, 3e-9ci |
IUPAC Name | (E)-4-(dimethylamino)but-3-en-2-one |
InChI Key | QPWSKIGAQZAJKS-SNAWJCMRSA-N |
Molecular Formula | C6H11NO |
trans-2-Decenal, 95%
CAS: 3913-81-3 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00014679 InChI Key: MMFCJPPRCYDLLZ-CMDGGOBGSA-N Synonym: trans-2-decenal,e-dec-2-enal,2-decenal,decenal,e-2-decenal,3-heptylacrolein,decenaldehyde,decylenic aldehyde,2-decenal, 2e,2-decenal, e PubChem CID: 5283345 IUPAC Name: (2E)-dec-2-enal SMILES: CCCCCCC\C=C\C=O

PubChem CID | 5283345 |
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CAS | 3913-81-3 |
Molecular Weight (g/mol) | 154.25 |
MDL Number | MFCD00014679 |
SMILES | CCCCCCC\C=C\C=O |
Synonym | trans-2-decenal,e-dec-2-enal,2-decenal,decenal,e-2-decenal,3-heptylacrolein,decenaldehyde,decylenic aldehyde,2-decenal, 2e,2-decenal, e |
IUPAC Name | (2E)-dec-2-enal |
InChI Key | MMFCJPPRCYDLLZ-CMDGGOBGSA-N |
Molecular Formula | C10H18O |
cis-1,2-Cyclopentanediol, 98%
CAS: 5057-98-7 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00134192 InChI Key: VCVOSERVUCJNPR-SYDPRGILSA-N Synonym: cis-1,2-cyclopentanediol,cis-cyclopentane-1,2-diol,cis-1,2-dihydroxycyclopentane,1r,2s-cyclopentane-1,2-diol,1s,2r cyclopentane-1,2-diol,cis-1,2-cyclopentandiol,1,2-cis-cyclopentanediol,cis-1,2-cyclopen-tanediol,cis-cyclopenten-1,2-diol,1alpha,2alpha-cyclopentanediol PubChem CID: 2733293 IUPAC Name: (1R,2S)-cyclopentane-1,2-diol SMILES: C1CC(C(C1)O)O

PubChem CID | 2733293 |
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CAS | 5057-98-7 |
Molecular Weight (g/mol) | 102.13 |
MDL Number | MFCD00134192 |
SMILES | C1CC(C(C1)O)O |
Synonym | cis-1,2-cyclopentanediol,cis-cyclopentane-1,2-diol,cis-1,2-dihydroxycyclopentane,1r,2s-cyclopentane-1,2-diol,1s,2r cyclopentane-1,2-diol,cis-1,2-cyclopentandiol,1,2-cis-cyclopentanediol,cis-1,2-cyclopen-tanediol,cis-cyclopenten-1,2-diol,1alpha,2alpha-cyclopentanediol |
IUPAC Name | (1R,2S)-cyclopentane-1,2-diol |
InChI Key | VCVOSERVUCJNPR-SYDPRGILSA-N |
Molecular Formula | C5H10O2 |