
Organooxygen compounds
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3-Acetyl-2-methyl-5-phenylthiophene, 98%, Thermo Scientific Chemicals
CAS: 40932-63-6 Molecular Formula: C13H12OS Molecular Weight (g/mol): 216.30 MDL Number: MFCD00151790 InChI Key: GREAZYFTAJMZFD-UHFFFAOYSA-N Synonym: 3-acetyl-2-methyl-5-phenylthiophene,1-2-methyl-5-phenylthiophen-3-yl ethanone,1-2-methyl-5-phenylthien-3-yl ethanone,ethanone, 1-2-methyl-5-phenyl-3-thienyl,acmc-20anao,3-acetyl-2-methyl-5-phenylthiohene,1-2-methyl-5-phenyl-3-thienyl ethanone,1-2-methyl-5-phenyl-3-thiophenyl ethanone,1-2-methyl-5-phenyl-thiophen-3-yl ethanone,1-2-methyl-5-phenyl-thiophen-3-yl-ethanone PubChem CID: 2728765 IUPAC Name: 1-(2-methyl-5-phenylthiophen-3-yl)ethanone SMILES: CC(=O)C1=C(C)SC(=C1)C1=CC=CC=C1
PubChem CID | 2728765 |
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CAS | 40932-63-6 |
Molecular Weight (g/mol) | 216.30 |
MDL Number | MFCD00151790 |
SMILES | CC(=O)C1=C(C)SC(=C1)C1=CC=CC=C1 |
Synonym | 3-acetyl-2-methyl-5-phenylthiophene,1-2-methyl-5-phenylthiophen-3-yl ethanone,1-2-methyl-5-phenylthien-3-yl ethanone,ethanone, 1-2-methyl-5-phenyl-3-thienyl,acmc-20anao,3-acetyl-2-methyl-5-phenylthiohene,1-2-methyl-5-phenyl-3-thienyl ethanone,1-2-methyl-5-phenyl-3-thiophenyl ethanone,1-2-methyl-5-phenyl-thiophen-3-yl ethanone,1-2-methyl-5-phenyl-thiophen-3-yl-ethanone |
IUPAC Name | 1-(2-methyl-5-phenylthiophen-3-yl)ethanone |
InChI Key | GREAZYFTAJMZFD-UHFFFAOYSA-N |
Molecular Formula | C13H12OS |
3-Methyl-1-butanol, mixture of isomers, 99%
CAS: 123-51-3 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00002934 InChI Key: PHTQWCKDNZKARW-UHFFFAOYSA-N Synonym: 3-methyl-1-butanol,isoamyl alcohol,isopentyl alcohol,isopentanol,3-methylbutanol,1-butanol, 3-methyl,isoamylol,isobutylcarbinol,iso-amylalkohol,isobutyl carbinol PubChem CID: 31260 ChEBI: CHEBI:15837 IUPAC Name: 3-methylbutan-1-ol SMILES: CC(C)CCO
PubChem CID | 31260 |
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CAS | 123-51-3 |
Molecular Weight (g/mol) | 88.15 |
ChEBI | CHEBI:15837 |
MDL Number | MFCD00002934 |
SMILES | CC(C)CCO |
Synonym | 3-methyl-1-butanol,isoamyl alcohol,isopentyl alcohol,isopentanol,3-methylbutanol,1-butanol, 3-methyl,isoamylol,isobutylcarbinol,iso-amylalkohol,isobutyl carbinol |
IUPAC Name | 3-methylbutan-1-ol |
InChI Key | PHTQWCKDNZKARW-UHFFFAOYSA-N |
Molecular Formula | C5H12O |
Imidazole-2-carboxaldehyde, 97%
CAS: 10111-08-7 Molecular Formula: C4H4N2O Molecular Weight (g/mol): 96.09 MDL Number: MFCD00003544 InChI Key: XYHKNCXZYYTLRG-UHFFFAOYSA-N Synonym: imidazole-2-carboxaldehyde,2-formylimidazole,1h-imidazole-2-carboxaldehyde,imidazole-2-carbaldehyde,2-imidazolecarboxaldehyde,imidazole-2-aldehyde,1h-imidazolecarboxaldehyde,2-formyl imidazole,imidazol-2-carbaldehyde,2-formyl-1h-imidazole PubChem CID: 24955 IUPAC Name: 1H-imidazole-2-carbaldehyde SMILES: O=CC1=NC=CN1
PubChem CID | 24955 |
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CAS | 10111-08-7 |
Molecular Weight (g/mol) | 96.09 |
MDL Number | MFCD00003544 |
SMILES | O=CC1=NC=CN1 |
Synonym | imidazole-2-carboxaldehyde,2-formylimidazole,1h-imidazole-2-carboxaldehyde,imidazole-2-carbaldehyde,2-imidazolecarboxaldehyde,imidazole-2-aldehyde,1h-imidazolecarboxaldehyde,2-formyl imidazole,imidazol-2-carbaldehyde,2-formyl-1h-imidazole |
IUPAC Name | 1H-imidazole-2-carbaldehyde |
InChI Key | XYHKNCXZYYTLRG-UHFFFAOYSA-N |
Molecular Formula | C4H4N2O |
CAS | 2325-10-2 |
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MDL Number | MFCD00064255 |
1,2-Diethoxyethane, 98%
CAS: 629-14-1 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.176 MDL Number: MFCD00009253 InChI Key: LZDKZFUFMNSQCJ-UHFFFAOYSA-N Synonym: ethylene glycol diethyl ether,diethyl cellosolve,ethane, 1,2-diethoxy,hisolve eme,3,6-dioxaoctane,glyme-1,diethyl glycol,2-ethoxyethyl ethyl ether,egdee,diethylether ethylenglykolu PubChem CID: 12375 IUPAC Name: 1,2-diethoxyethane SMILES: CCOCCOCC
PubChem CID | 12375 |
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CAS | 629-14-1 |
Molecular Weight (g/mol) | 118.176 |
MDL Number | MFCD00009253 |
SMILES | CCOCCOCC |
Synonym | ethylene glycol diethyl ether,diethyl cellosolve,ethane, 1,2-diethoxy,hisolve eme,3,6-dioxaoctane,glyme-1,diethyl glycol,2-ethoxyethyl ethyl ether,egdee,diethylether ethylenglykolu |
IUPAC Name | 1,2-diethoxyethane |
InChI Key | LZDKZFUFMNSQCJ-UHFFFAOYSA-N |
Molecular Formula | C6H14O2 |
11-Bromoundecanol, 97%
CAS: 1611-56-9 Molecular Formula: C11H23BrO Molecular Weight (g/mol): 251.21 MDL Number: MFCD00004752 InChI Key: XFGANBYCJWQYBI-UHFFFAOYSA-N Synonym: 11-bromo-1-undecanol,11-bromoundecanol,1-undecanol, 11-bromo,1-bromo-11-hydroxyundecane,undecamethylene bromohydrin,11-bromoundecyl alcohol,11-bromo-l-undecanol,11-bromoundecane-1-ol,11-bromanylundecan-1-ol,acmc-1br3a PubChem CID: 74163 IUPAC Name: 11-bromoundecan-1-ol SMILES: OCCCCCCCCCCCBr
PubChem CID | 74163 |
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CAS | 1611-56-9 |
Molecular Weight (g/mol) | 251.21 |
MDL Number | MFCD00004752 |
SMILES | OCCCCCCCCCCCBr |
Synonym | 11-bromo-1-undecanol,11-bromoundecanol,1-undecanol, 11-bromo,1-bromo-11-hydroxyundecane,undecamethylene bromohydrin,11-bromoundecyl alcohol,11-bromo-l-undecanol,11-bromoundecane-1-ol,11-bromanylundecan-1-ol,acmc-1br3a |
IUPAC Name | 11-bromoundecan-1-ol |
InChI Key | XFGANBYCJWQYBI-UHFFFAOYSA-N |
Molecular Formula | C11H23BrO |
5-Methoxyindole-2-carboxylic acid, 97%
CAS: 4382-54-1 Molecular Formula: C10H9NO3 Molecular Weight (g/mol): 191.19 MDL Number: MFCD00005614 InChI Key: YEBJVSLNUMZXRJ-UHFFFAOYSA-N Synonym: 5-methoxyindole-2-carboxylic acid,1h-indole-2-carboxylic acid, 5-methoxy,5-methoxy-2-indolecarboxylic acid,indole-2-carboxylic acid, 5-methoxy,acide methoxy-5 indole carboxylique-2,acide methoxy-5 indole carboxylique-2 french,5-methoxyindol-2-carboxylic acid,5-methoxy-1h-indole-2-carboxylicacid,pubchem1702,acmc-209jvj PubChem CID: 20401 IUPAC Name: 5-methoxy-1H-indole-2-carboxylic acid SMILES: COC1=CC=C2NC(=CC2=C1)C(O)=O
PubChem CID | 20401 |
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CAS | 4382-54-1 |
Molecular Weight (g/mol) | 191.19 |
MDL Number | MFCD00005614 |
SMILES | COC1=CC=C2NC(=CC2=C1)C(O)=O |
Synonym | 5-methoxyindole-2-carboxylic acid,1h-indole-2-carboxylic acid, 5-methoxy,5-methoxy-2-indolecarboxylic acid,indole-2-carboxylic acid, 5-methoxy,acide methoxy-5 indole carboxylique-2,acide methoxy-5 indole carboxylique-2 french,5-methoxyindol-2-carboxylic acid,5-methoxy-1h-indole-2-carboxylicacid,pubchem1702,acmc-209jvj |
IUPAC Name | 5-methoxy-1H-indole-2-carboxylic acid |
InChI Key | YEBJVSLNUMZXRJ-UHFFFAOYSA-N |
Molecular Formula | C10H9NO3 |
3',4'-Dimethoxyacetophenone, 98+%
CAS: 1131-62-0 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00008737 InChI Key: IQZLUWLMQNGTIW-UHFFFAOYSA-N Synonym: 3',4'-dimethoxyacetophenone,1-3,4-dimethoxyphenyl ethanone,3,4-dimethoxyacetophenone,acetoveratrone,ethanone, 1-3,4-dimethoxyphenyl,1-3,4-dimethoxyphenyl ethan-1-one,3,4-dimethoxyphenyl methyl ketone,unii-5rv6436s8a,acetophenone, 3',4'-dimethoxy,acetophenone,4'-dimethoxy PubChem CID: 14328 ChEBI: CHEBI:86576 IUPAC Name: 1-(3,4-dimethoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1)OC)OC
PubChem CID | 14328 |
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CAS | 1131-62-0 |
Molecular Weight (g/mol) | 180.203 |
ChEBI | CHEBI:86576 |
MDL Number | MFCD00008737 |
SMILES | CC(=O)C1=CC(=C(C=C1)OC)OC |
Synonym | 3',4'-dimethoxyacetophenone,1-3,4-dimethoxyphenyl ethanone,3,4-dimethoxyacetophenone,acetoveratrone,ethanone, 1-3,4-dimethoxyphenyl,1-3,4-dimethoxyphenyl ethan-1-one,3,4-dimethoxyphenyl methyl ketone,unii-5rv6436s8a,acetophenone, 3',4'-dimethoxy,acetophenone,4'-dimethoxy |
IUPAC Name | 1-(3,4-dimethoxyphenyl)ethanone |
InChI Key | IQZLUWLMQNGTIW-UHFFFAOYSA-N |
Molecular Formula | C10H12O3 |
(+/-)-2-Methyl-2,4-pentanediol, 98%
CAS: 107-41-5 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.176 MDL Number: MFCD00004547 InChI Key: SVTBMSDMJJWYQN-UHFFFAOYSA-N Synonym: hexylene glycol,2-methyl-2,4-pentanediol,pinakon,2,4-dihydroxy-2-methylpentane,2,4-pentanediol, 2-methyl,diolane,isol,4-methyl-2,4-pentanediol,1,1,3-trimethyltrimethylenediol,2-methyl pentane-2,4-diol PubChem CID: 7870 ChEBI: CHEBI:62995 IUPAC Name: 2-methylpentane-2,4-diol SMILES: CC(CC(C)(C)O)O
PubChem CID | 7870 |
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CAS | 107-41-5 |
Molecular Weight (g/mol) | 118.176 |
ChEBI | CHEBI:62995 |
MDL Number | MFCD00004547 |
SMILES | CC(CC(C)(C)O)O |
Synonym | hexylene glycol,2-methyl-2,4-pentanediol,pinakon,2,4-dihydroxy-2-methylpentane,2,4-pentanediol, 2-methyl,diolane,isol,4-methyl-2,4-pentanediol,1,1,3-trimethyltrimethylenediol,2-methyl pentane-2,4-diol |
IUPAC Name | 2-methylpentane-2,4-diol |
InChI Key | SVTBMSDMJJWYQN-UHFFFAOYSA-N |
Molecular Formula | C6H14O2 |
1,3-Cyclohexanediol, cis + trans, 98%
CAS: 504-01-8 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00039458 InChI Key: RLMGYIOTPQVQJR-UHFFFAOYSA-N Synonym: 1,3-cyclohexanediol,resorcitol,1,3-dihydroxycyclohexane,1,3-benzenediol, hexahydro,cis-1,3-cyclohexandiol,trans-1,3-cyclohexanediol,trans-1,3-cyclohexanol,1,3-cyclohexanediol,c&t,acmc-209ll9,acmc-209po7 PubChem CID: 10433 IUPAC Name: cyclohexane-1,3-diol SMILES: C1CC(CC(C1)O)O
PubChem CID | 10433 |
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CAS | 504-01-8 |
Molecular Weight (g/mol) | 116.16 |
MDL Number | MFCD00039458 |
SMILES | C1CC(CC(C1)O)O |
Synonym | 1,3-cyclohexanediol,resorcitol,1,3-dihydroxycyclohexane,1,3-benzenediol, hexahydro,cis-1,3-cyclohexandiol,trans-1,3-cyclohexanediol,trans-1,3-cyclohexanol,1,3-cyclohexanediol,c&t,acmc-209ll9,acmc-209po7 |
IUPAC Name | cyclohexane-1,3-diol |
InChI Key | RLMGYIOTPQVQJR-UHFFFAOYSA-N |
Molecular Formula | C6H12O2 |
2',4',6'-Trihydroxyacetophenone hydrate, 98+%
CAS: 480-66-0 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002287 InChI Key: XLEYFDVVXLMULC-UHFFFAOYSA-N Synonym: 1-2,4,6-trihydroxyphenyl ethanone,2',4',6'-trihydroxyacetophenone,phloroacetophenone,phloracetophenone,acetophloroglucine,2,4,6-trihydroxyacetophenone,acetylphloroglucinol,ethanone, 1-2,4,6-trihydroxyphenyl,2-acetylphloroglucinol,1-2,4,6-trihydroxyphenyl-ethanone PubChem CID: 68073 ChEBI: CHEBI:64344 IUPAC Name: 1-(2,4,6-trihydroxyphenyl)ethanone SMILES: CC(=O)C1=C(O)C=C(O)C=C1O
PubChem CID | 68073 |
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CAS | 480-66-0 |
Molecular Weight (g/mol) | 168.15 |
ChEBI | CHEBI:64344 |
MDL Number | MFCD00002287 |
SMILES | CC(=O)C1=C(O)C=C(O)C=C1O |
Synonym | 1-2,4,6-trihydroxyphenyl ethanone,2',4',6'-trihydroxyacetophenone,phloroacetophenone,phloracetophenone,acetophloroglucine,2,4,6-trihydroxyacetophenone,acetylphloroglucinol,ethanone, 1-2,4,6-trihydroxyphenyl,2-acetylphloroglucinol,1-2,4,6-trihydroxyphenyl-ethanone |
IUPAC Name | 1-(2,4,6-trihydroxyphenyl)ethanone |
InChI Key | XLEYFDVVXLMULC-UHFFFAOYSA-N |
Molecular Formula | C8H8O4 |
6-Ethoxy-2-mercaptobenzothiazole, 99%
CAS: 120-53-6 Molecular Formula: C9H9NOS2 Molecular Weight (g/mol): 211.297 MDL Number: MFCD00005782 InChI Key: HOASVNMVYBSLSU-UHFFFAOYSA-N Synonym: 6-ethoxy-2-mercaptobenzothiazole,6-ethoxybenzothiazole-2-thiol,2 3h-benzothiazolethione, 6-ethoxy,6-ethoxybenzothiazolethiol,usaf pd-58,6-ethoxy-2-benzothiazolethiol,6-ethoxybenzo d thiazole-2 3h-thione,6-ethoxy-1,3-benzothiazole-2-thiol,2-mercapto-6-ethoxybenzothiazole,2-benzothiazolethiol, 6-ethoxy PubChem CID: 719344 IUPAC Name: 6-ethoxy-3H-1,3-benzothiazole-2-thione SMILES: CCOC1=CC2=C(C=C1)NC(=S)S2
PubChem CID | 719344 |
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CAS | 120-53-6 |
Molecular Weight (g/mol) | 211.297 |
MDL Number | MFCD00005782 |
SMILES | CCOC1=CC2=C(C=C1)NC(=S)S2 |
Synonym | 6-ethoxy-2-mercaptobenzothiazole,6-ethoxybenzothiazole-2-thiol,2 3h-benzothiazolethione, 6-ethoxy,6-ethoxybenzothiazolethiol,usaf pd-58,6-ethoxy-2-benzothiazolethiol,6-ethoxybenzo d thiazole-2 3h-thione,6-ethoxy-1,3-benzothiazole-2-thiol,2-mercapto-6-ethoxybenzothiazole,2-benzothiazolethiol, 6-ethoxy |
IUPAC Name | 6-ethoxy-3H-1,3-benzothiazole-2-thione |
InChI Key | HOASVNMVYBSLSU-UHFFFAOYSA-N |
Molecular Formula | C9H9NOS2 |
2,3-Hexanedione, 94%
CAS: 3848-24-6 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00009398 InChI Key: MWVFCEVNXHTDNF-UHFFFAOYSA-N Synonym: 2,3-hexanedione,acetylbutyryl,acetyl butyryl,methyl propyl diketone,butyryl acetyl,hexanedione,unii-559anr3nvs,2,3-hexandione,fema no. 2558,559anr3nvs PubChem CID: 19707 ChEBI: CHEBI:87583 IUPAC Name: hexane-2,3-dione SMILES: CCCC(=O)C(C)=O
PubChem CID | 19707 |
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CAS | 3848-24-6 |
Molecular Weight (g/mol) | 114.14 |
ChEBI | CHEBI:87583 |
MDL Number | MFCD00009398 |
SMILES | CCCC(=O)C(C)=O |
Synonym | 2,3-hexanedione,acetylbutyryl,acetyl butyryl,methyl propyl diketone,butyryl acetyl,hexanedione,unii-559anr3nvs,2,3-hexandione,fema no. 2558,559anr3nvs |
IUPAC Name | hexane-2,3-dione |
InChI Key | MWVFCEVNXHTDNF-UHFFFAOYSA-N |
Molecular Formula | C6H10O2 |
Ethyl benzoylacetate, 90+%
CAS: 94-02-0 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00009196 InChI Key: GKKZMYDNDDMXSE-UHFFFAOYSA-N Synonym: ethyl benzoylacetate,benzoylacetic acid ethyl ester,ethyl benzoyl acetate,acetic acid, benzoyl-, ethyl ester,ethyl beta-oxobenzenepropanoate,ethylbenzoylacetate,benzoylacetic acid, ethyl ester,ethyl 3-phenyl-3-oxopropanoate,benzenepropanoic acid, beta-oxo-, ethyl ester,ethyl 3-oxo-3-phenylpropionate PubChem CID: 7170 IUPAC Name: ethyl 3-oxo-3-phenylpropanoate SMILES: CCOC(=O)CC(=O)C1=CC=CC=C1
PubChem CID | 7170 |
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CAS | 94-02-0 |
Molecular Weight (g/mol) | 192.214 |
MDL Number | MFCD00009196 |
SMILES | CCOC(=O)CC(=O)C1=CC=CC=C1 |
Synonym | ethyl benzoylacetate,benzoylacetic acid ethyl ester,ethyl benzoyl acetate,acetic acid, benzoyl-, ethyl ester,ethyl beta-oxobenzenepropanoate,ethylbenzoylacetate,benzoylacetic acid, ethyl ester,ethyl 3-phenyl-3-oxopropanoate,benzenepropanoic acid, beta-oxo-, ethyl ester,ethyl 3-oxo-3-phenylpropionate |
IUPAC Name | ethyl 3-oxo-3-phenylpropanoate |
InChI Key | GKKZMYDNDDMXSE-UHFFFAOYSA-N |
Molecular Formula | C11H12O3 |
1,2,4-Butanetriol, 96%, Thermo Scientific Chemicals
CAS: 3068-00-6 Molecular Formula: C4H10O3 Molecular Weight (g/mol): 106.121 MDL Number: MFCD00002929 InChI Key: ARXKVVRQIIOZGF-UHFFFAOYSA-N Synonym: 1,2,4-butanetriol,2-deoxyerythritol,1,3,4-butanetriol,triol 124,1,2,4-trihydroxybutane,1,2,4-butantriol,1,2,4-butantriol german,+/--1,2,4-butanetriol,2-deoxyerthritol,dialkylenethiourea PubChem CID: 18302 IUPAC Name: butane-1,2,4-triol SMILES: C(CO)C(CO)O
PubChem CID | 18302 |
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CAS | 3068-00-6 |
Molecular Weight (g/mol) | 106.121 |
MDL Number | MFCD00002929 |
SMILES | C(CO)C(CO)O |
Synonym | 1,2,4-butanetriol,2-deoxyerythritol,1,3,4-butanetriol,triol 124,1,2,4-trihydroxybutane,1,2,4-butantriol,1,2,4-butantriol german,+/--1,2,4-butanetriol,2-deoxyerthritol,dialkylenethiourea |
IUPAC Name | butane-1,2,4-triol |
InChI Key | ARXKVVRQIIOZGF-UHFFFAOYSA-N |
Molecular Formula | C4H10O3 |