Organooxygen compounds
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Methyl 4-Acetylbenzoate 98.0+%, TCI America™
CAS: 3609-53-8 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD00216474 InChI Key: QNTSFZXGLAHYLC-UHFFFAOYSA-N Synonym: benzoic acid, 4-acetyl-, methyl ester,unii-3s3d53j4nt,4-acetylbenzoic acid methyl ester,methyl4-acetylbenzoate,4-acetyl-benzoic acid methyl ester,methyl 4-acetyl benzoate,pubchem22273,acmc-209ikx,#,ksc497k9b PubChem CID: 137990 IUPAC Name: methyl 4-acetylbenzoate SMILES: CC(=O)C1=CC=C(C=C1)C(=O)OC
| PubChem CID | 137990 |
|---|---|
| CAS | 3609-53-8 |
| Molecular Weight (g/mol) | 178.187 |
| MDL Number | MFCD00216474 |
| SMILES | CC(=O)C1=CC=C(C=C1)C(=O)OC |
| Synonym | benzoic acid, 4-acetyl-, methyl ester,unii-3s3d53j4nt,4-acetylbenzoic acid methyl ester,methyl4-acetylbenzoate,4-acetyl-benzoic acid methyl ester,methyl 4-acetyl benzoate,pubchem22273,acmc-209ikx,#,ksc497k9b |
| IUPAC Name | methyl 4-acetylbenzoate |
| InChI Key | QNTSFZXGLAHYLC-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
2,2-Dimethyl-1,3-propanediol 98.0+%, TCI America™
CAS: 126-30-7 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00004685 InChI Key: SLCVBVWXLSEKPL-UHFFFAOYSA-N Synonym: neopentyl glycol,2,2-dimethyl-1,3-propanediol,dimethylolpropane,neopentylene glycol,neopentanediol,neopentylglycol,1,3-propanediol, 2,2-dimethyl,neol,hydroxypivalyl alcohol,dimethyltrimethylene glycol PubChem CID: 31344 IUPAC Name: 2,2-dimethylpropane-1,3-diol SMILES: CC(C)(CO)CO
| PubChem CID | 31344 |
|---|---|
| CAS | 126-30-7 |
| Molecular Weight (g/mol) | 104.15 |
| MDL Number | MFCD00004685 |
| SMILES | CC(C)(CO)CO |
| Synonym | neopentyl glycol,2,2-dimethyl-1,3-propanediol,dimethylolpropane,neopentylene glycol,neopentanediol,neopentylglycol,1,3-propanediol, 2,2-dimethyl,neol,hydroxypivalyl alcohol,dimethyltrimethylene glycol |
| IUPAC Name | 2,2-dimethylpropane-1,3-diol |
| InChI Key | SLCVBVWXLSEKPL-UHFFFAOYSA-N |
| Molecular Formula | C5H12O2 |
7-Benzyloxyindole 98.0+%, TCI America™
CAS: 20289-27-4 Molecular Formula: C15H13NO Molecular Weight (g/mol): 223.28 MDL Number: MFCD00037974 InChI Key: DIGZMTAFOACVBW-UHFFFAOYSA-N Synonym: 7-benzyloxyindole,7-benzyloxy-1h-indole,7-phenylmethoxy indole,1h-indole, 7-phenylmethoxy,7-phenylmethoxy-1h-indole,7-benzyloxy-1h-indol,7-benzyloxindole,7-benzyloxy indole PubChem CID: 260798 IUPAC Name: 7-(benzyloxy)-1H-indole SMILES: C(OC1=C2NC=CC2=CC=C1)C1=CC=CC=C1
| PubChem CID | 260798 |
|---|---|
| CAS | 20289-27-4 |
| Molecular Weight (g/mol) | 223.28 |
| MDL Number | MFCD00037974 |
| SMILES | C(OC1=C2NC=CC2=CC=C1)C1=CC=CC=C1 |
| Synonym | 7-benzyloxyindole,7-benzyloxy-1h-indole,7-phenylmethoxy indole,1h-indole, 7-phenylmethoxy,7-phenylmethoxy-1h-indole,7-benzyloxy-1h-indol,7-benzyloxindole,7-benzyloxy indole |
| IUPAC Name | 7-(benzyloxy)-1H-indole |
| InChI Key | DIGZMTAFOACVBW-UHFFFAOYSA-N |
| Molecular Formula | C15H13NO |
5'-Acetamido-2'-hydroxyacetophenone 98.0+%, TCI America™
CAS: 7298-67-1 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.202 MDL Number: MFCD00100490 InChI Key: DIQSYMRVTOVKQT-UHFFFAOYSA-N Synonym: n-3-acetyl-4-hydroxyphenyl acetamide,n1-3-acetyl-4-hydroxyphenyl acetamide,n-3-acetyl-4-hydroxy-phenyl acetamide,5'-acetamido-2'-hydroxyacetophenone,acetamide, n-3-acetyl-4-hydroxyphenyl,ksc380g7h,3'-acetyl-4'-hydroxyacetanilide,5-acetamido-2-hydroxyacetophenone,5-acetamido-2-hydroxy-acetophenone,n-3-acetyl-4-hydroxyphenyl-acetamide PubChem CID: 81720 IUPAC Name: N-(3-acetyl-4-hydroxyphenyl)acetamide SMILES: CC(=O)C1=C(C=CC(=C1)NC(=O)C)O
| PubChem CID | 81720 |
|---|---|
| CAS | 7298-67-1 |
| Molecular Weight (g/mol) | 193.202 |
| MDL Number | MFCD00100490 |
| SMILES | CC(=O)C1=C(C=CC(=C1)NC(=O)C)O |
| Synonym | n-3-acetyl-4-hydroxyphenyl acetamide,n1-3-acetyl-4-hydroxyphenyl acetamide,n-3-acetyl-4-hydroxy-phenyl acetamide,5'-acetamido-2'-hydroxyacetophenone,acetamide, n-3-acetyl-4-hydroxyphenyl,ksc380g7h,3'-acetyl-4'-hydroxyacetanilide,5-acetamido-2-hydroxyacetophenone,5-acetamido-2-hydroxy-acetophenone,n-3-acetyl-4-hydroxyphenyl-acetamide |
| IUPAC Name | N-(3-acetyl-4-hydroxyphenyl)acetamide |
| InChI Key | DIQSYMRVTOVKQT-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO3 |
muco-Inositol 98.0+%, TCI America™
CAS: 41546-34-3 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: MFCD01321249 InChI Key: CDAISMWEOUEBRE-UHFFFAOYSA-N PubChem CID: 892 ChEBI: CHEBI:24848 IUPAC Name: cyclohexane-1,2,3,4,5,6-hexol SMILES: C1(C(C(C(C(C1O)O)O)O)O)O
| PubChem CID | 892 |
|---|---|
| CAS | 41546-34-3 |
| Molecular Weight (g/mol) | 180.156 |
| ChEBI | CHEBI:24848 |
| MDL Number | MFCD01321249 |
| SMILES | C1(C(C(C(C(C1O)O)O)O)O)O |
| IUPAC Name | cyclohexane-1,2,3,4,5,6-hexol |
| InChI Key | CDAISMWEOUEBRE-UHFFFAOYSA-N |
| Molecular Formula | C6H12O6 |
4'-Bromo-3'-nitroacetophenone 98.0+%, TCI America™
CAS: 18640-58-9 Molecular Formula: C8H6BrNO3 Molecular Weight (g/mol): 244.04 MDL Number: MFCD00016985 InChI Key: YFVOFFKNHQTQQE-UHFFFAOYSA-N Synonym: 1-4-bromo-3-nitrophenyl ethanone,4'-bromo-3'-nitroacetophenone,1-4-bromo-3-nitrophenyl ethan-1-one,4-bromo-3-nitroacetophenone,4-bromo-3'-nitroacetophenone,ethanone, 1-4-bromo-3-nitrophenyl,acmc-209eny,3-nitro-4-bromoacetophenone,4-bromo-3-nitro acetophenone,3'-nitro-4'-bromoacetophenone PubChem CID: 87737 IUPAC Name: 1-(4-bromo-3-nitrophenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(Br)C(=C1)[N+]([O-])=O
| PubChem CID | 87737 |
|---|---|
| CAS | 18640-58-9 |
| Molecular Weight (g/mol) | 244.04 |
| MDL Number | MFCD00016985 |
| SMILES | CC(=O)C1=CC=C(Br)C(=C1)[N+]([O-])=O |
| Synonym | 1-4-bromo-3-nitrophenyl ethanone,4'-bromo-3'-nitroacetophenone,1-4-bromo-3-nitrophenyl ethan-1-one,4-bromo-3-nitroacetophenone,4-bromo-3'-nitroacetophenone,ethanone, 1-4-bromo-3-nitrophenyl,acmc-209eny,3-nitro-4-bromoacetophenone,4-bromo-3-nitro acetophenone,3'-nitro-4'-bromoacetophenone |
| IUPAC Name | 1-(4-bromo-3-nitrophenyl)ethan-1-one |
| InChI Key | YFVOFFKNHQTQQE-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrNO3 |
5-Norbornen-2-methanol (mixture of isomers) 98.0+%, TCI America™
CAS: 95-12-5 Molecular Formula: C8H12O Molecular Weight (g/mol): 124.183 MDL Number: MFCD00167571 InChI Key: LUMNWCHHXDUKFI-UHFFFAOYSA-N Synonym: 5-norbornene-2-methanol,bicyclo 2.2.1 hept-5-en-2-ylmethanol,bicyclo 2.2.1 hept-5-ene-2-methanol,cyclol,2-hydroxymethyl-5-norbornene,5-hydroxymethyl-2-norbornene,5-norbornene 2-methanol,5-hydroxymethylbicyclo 2.2.1 hept-2-ene,2-hydroxymethyl bicyclo 2.2.1 hept-5-ene PubChem CID: 78946 IUPAC Name: 5-bicyclo[2.2.1]hept-2-enylmethanol SMILES: C1C2CC(C1C=C2)CO
| PubChem CID | 78946 |
|---|---|
| CAS | 95-12-5 |
| Molecular Weight (g/mol) | 124.183 |
| MDL Number | MFCD00167571 |
| SMILES | C1C2CC(C1C=C2)CO |
| Synonym | 5-norbornene-2-methanol,bicyclo 2.2.1 hept-5-en-2-ylmethanol,bicyclo 2.2.1 hept-5-ene-2-methanol,cyclol,2-hydroxymethyl-5-norbornene,5-hydroxymethyl-2-norbornene,5-norbornene 2-methanol,5-hydroxymethylbicyclo 2.2.1 hept-2-ene,2-hydroxymethyl bicyclo 2.2.1 hept-5-ene |
| IUPAC Name | 5-bicyclo[2.2.1]hept-2-enylmethanol |
| InChI Key | LUMNWCHHXDUKFI-UHFFFAOYSA-N |
| Molecular Formula | C8H12O |
2,4,7,9-Tetramethyl-5-decyne-4,7-diol (DL- and meso- mixture) 95.0+%, TCI America™
CAS: 126-86-3 Molecular Formula: C14H26O2 Molecular Weight (g/mol): 226.36 MDL Number: MFCD00008942 InChI Key: LXOFYPKXCSULTL-UHFFFAOYNA-N Synonym: 2,4,7,9-tetramethyl-5-decyne-4,7-diol,surfynol 104,surfynol 104a,surfynol 104e,surfynol tg,syrfynol 104,tetramethyl decynediol,5-decyne-4,7-diol, 2,4,7,9-tetramethyl,surfynol 104pa,1,4-diisobutyl-1,4-dimethylbutynediol PubChem CID: 31362 IUPAC Name: 2,4,7,9-tetramethyldec-5-yne-4,7-diol SMILES: CC(C)CC(C)(O)C#CC(C)(O)CC(C)C
| PubChem CID | 31362 |
|---|---|
| CAS | 126-86-3 |
| Molecular Weight (g/mol) | 226.36 |
| MDL Number | MFCD00008942 |
| SMILES | CC(C)CC(C)(O)C#CC(C)(O)CC(C)C |
| Synonym | 2,4,7,9-tetramethyl-5-decyne-4,7-diol,surfynol 104,surfynol 104a,surfynol 104e,surfynol tg,syrfynol 104,tetramethyl decynediol,5-decyne-4,7-diol, 2,4,7,9-tetramethyl,surfynol 104pa,1,4-diisobutyl-1,4-dimethylbutynediol |
| IUPAC Name | 2,4,7,9-tetramethyldec-5-yne-4,7-diol |
| InChI Key | LXOFYPKXCSULTL-UHFFFAOYNA-N |
| Molecular Formula | C14H26O2 |
Cyclopentyl Phenyl Ketone 98.0+%, TCI America™
CAS: 5422-88-8 Molecular Formula: C12H14O Molecular Weight (g/mol): 174.24 MDL Number: MFCD00001378 InChI Key: VYDIMQRLNMMJBW-UHFFFAOYSA-N Synonym: cyclopentyl phenyl ketone,cyclopentyl phenyl methanone,benzoylcyclopentane,methanone, cyclopentylphenyl,ketone, cyclopentyl phenyl,cyclopentyl-phenyl-methanone,cyclopentylphenylketone,acmc-209leg,phenyl cyclopentyl ketone,cyclopentanylphenylmethanone PubChem CID: 79464 IUPAC Name: cyclopentyl(phenyl)methanone SMILES: O=C(C1CCCC1)C1=CC=CC=C1
| PubChem CID | 79464 |
|---|---|
| CAS | 5422-88-8 |
| Molecular Weight (g/mol) | 174.24 |
| MDL Number | MFCD00001378 |
| SMILES | O=C(C1CCCC1)C1=CC=CC=C1 |
| Synonym | cyclopentyl phenyl ketone,cyclopentyl phenyl methanone,benzoylcyclopentane,methanone, cyclopentylphenyl,ketone, cyclopentyl phenyl,cyclopentyl-phenyl-methanone,cyclopentylphenylketone,acmc-209leg,phenyl cyclopentyl ketone,cyclopentanylphenylmethanone |
| IUPAC Name | cyclopentyl(phenyl)methanone |
| InChI Key | VYDIMQRLNMMJBW-UHFFFAOYSA-N |
| Molecular Formula | C12H14O |
1-Methylimidazole-2-carboxaldehyde 98.0+%, TCI America™
CAS: 13750-81-7 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD01321308 InChI Key: UEBFLTZXUXZPJO-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole-2-carbaldehyde,1-methyl-2-imidazolecarboxaldehyde,1-methylimidazole-2-carboxaldehyde,1h-imidazole-2-carboxaldehyde, 1-methyl,2-formyl-1-methylimidazole,imidazole-2-carboxaldehyde, 1-methyl,pubchem7614,zlchem 1231,2-formyl-l-methylimidazole,acmc-209ce6 PubChem CID: 139575 IUPAC Name: 1-methyl-1H-imidazole-2-carbaldehyde SMILES: CN1C=CN=C1C=O
| PubChem CID | 139575 |
|---|---|
| CAS | 13750-81-7 |
| Molecular Weight (g/mol) | 110.12 |
| MDL Number | MFCD01321308 |
| SMILES | CN1C=CN=C1C=O |
| Synonym | 1-methyl-1h-imidazole-2-carbaldehyde,1-methyl-2-imidazolecarboxaldehyde,1-methylimidazole-2-carboxaldehyde,1h-imidazole-2-carboxaldehyde, 1-methyl,2-formyl-1-methylimidazole,imidazole-2-carboxaldehyde, 1-methyl,pubchem7614,zlchem 1231,2-formyl-l-methylimidazole,acmc-209ce6 |
| IUPAC Name | 1-methyl-1H-imidazole-2-carbaldehyde |
| InChI Key | UEBFLTZXUXZPJO-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O |
Ethyl Malonyl Chloride 97.0+%, TCI America™
CAS: 36239-09-5 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.56 MDL Number: MFCD00000736 InChI Key: KWFADUNOPOSMIJ-UHFFFAOYSA-N Synonym: ethyl 3-chloro-3-oxopropionate,ethyl chloroformylacetate,ethyl chloroformyl acetate,propanoic acid, 3-chloro-3-oxo-, ethyl ester,ethyl3-chloro-3-oxopropanoate,ethyl malonylchloride,carbethoxyacetyl chloride,2-ethoxycarbonylacetyl chloride,ethyl 2-chlorocarbonyl acetate,chloroformyl acetic acid ethyl ester PubChem CID: 118931 IUPAC Name: ethyl 3-chloro-3-oxopropanoate SMILES: CCOC(=O)CC(Cl)=O
| PubChem CID | 118931 |
|---|---|
| CAS | 36239-09-5 |
| Molecular Weight (g/mol) | 150.56 |
| MDL Number | MFCD00000736 |
| SMILES | CCOC(=O)CC(Cl)=O |
| Synonym | ethyl 3-chloro-3-oxopropionate,ethyl chloroformylacetate,ethyl chloroformyl acetate,propanoic acid, 3-chloro-3-oxo-, ethyl ester,ethyl3-chloro-3-oxopropanoate,ethyl malonylchloride,carbethoxyacetyl chloride,2-ethoxycarbonylacetyl chloride,ethyl 2-chlorocarbonyl acetate,chloroformyl acetic acid ethyl ester |
| IUPAC Name | ethyl 3-chloro-3-oxopropanoate |
| InChI Key | KWFADUNOPOSMIJ-UHFFFAOYSA-N |
| Molecular Formula | C5H7ClO3 |
(R,R)-(+)-Hydrobenzoin 99.0+%, TCI America™
CAS: 52340-78-0 Molecular Formula: C14H14O2 Molecular Weight (g/mol): 214.264 MDL Number: MFCD00064254 InChI Key: IHPDTPWNFBQHEB-ZIAGYGMSSA-N Synonym: r,r-+-hydrobenzoin,1r,2r-1,2-diphenylethane-1,2-diol,r,r-hydrobenzoin,+-hydrobenzoin,unii-wv0i33nond,+-1r,2r-1,2-diphenylethane-1,2-diol,wv0i33nond,isohydrobenzoin,1,2-ethanediol, 1,2-diphenyl-, 1r,2r-rel,+-dihydrobenzoin PubChem CID: 853019 ChEBI: CHEBI:50014 IUPAC Name: (1R,2R)-1,2-diphenylethane-1,2-diol SMILES: C1=CC=C(C=C1)C(C(C2=CC=CC=C2)O)O
| PubChem CID | 853019 |
|---|---|
| CAS | 52340-78-0 |
| Molecular Weight (g/mol) | 214.264 |
| ChEBI | CHEBI:50014 |
| MDL Number | MFCD00064254 |
| SMILES | C1=CC=C(C=C1)C(C(C2=CC=CC=C2)O)O |
| Synonym | r,r-+-hydrobenzoin,1r,2r-1,2-diphenylethane-1,2-diol,r,r-hydrobenzoin,+-hydrobenzoin,unii-wv0i33nond,+-1r,2r-1,2-diphenylethane-1,2-diol,wv0i33nond,isohydrobenzoin,1,2-ethanediol, 1,2-diphenyl-, 1r,2r-rel,+-dihydrobenzoin |
| IUPAC Name | (1R,2R)-1,2-diphenylethane-1,2-diol |
| InChI Key | IHPDTPWNFBQHEB-ZIAGYGMSSA-N |
| Molecular Formula | C14H14O2 |
Ethyl 3-Oxo-3-(4-chlorophenyl)propionate 98.0+%, TCI America™
CAS: 2881-63-2 Molecular Formula: C11H11ClO3 Molecular Weight (g/mol): 226.656 MDL Number: MFCD00018713 InChI Key: DGCZHKABHPDNCC-UHFFFAOYSA-N Synonym: 3-Oxo-3-(4-chlorophenyl)propionic Acid Ethyl Ester PubChem CID: 101336 IUPAC Name: ethyl 3-(4-chlorophenyl)-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1=CC=C(C=C1)Cl
| PubChem CID | 101336 |
|---|---|
| CAS | 2881-63-2 |
| Molecular Weight (g/mol) | 226.656 |
| MDL Number | MFCD00018713 |
| SMILES | CCOC(=O)CC(=O)C1=CC=C(C=C1)Cl |
| Synonym | 3-Oxo-3-(4-chlorophenyl)propionic Acid Ethyl Ester |
| IUPAC Name | ethyl 3-(4-chlorophenyl)-3-oxopropanoate |
| InChI Key | DGCZHKABHPDNCC-UHFFFAOYSA-N |
| Molecular Formula | C11H11ClO3 |
3-Methyl-2-butenal 97.0+%, TCI America™
CAS: 107-86-8 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00010291 InChI Key: SEPQTYODOKLVSB-UHFFFAOYSA-N Synonym: 3-methyl-2-butenal,prenal,3-methylcrotonaldehyde,senecialdehyde,3,3-dimethylacrolein,senecioaldehyde,2-butenal, 3-methyl,beta,beta-dimethylacrolein,crotonaldehyde, 3-methyl,beta-methylcrotonaldehyde PubChem CID: 61020 ChEBI: CHEBI:15825 IUPAC Name: 3-methylbut-2-enal SMILES: CC(=CC=O)C
| PubChem CID | 61020 |
|---|---|
| CAS | 107-86-8 |
| Molecular Weight (g/mol) | 84.118 |
| ChEBI | CHEBI:15825 |
| MDL Number | MFCD00010291 |
| SMILES | CC(=CC=O)C |
| Synonym | 3-methyl-2-butenal,prenal,3-methylcrotonaldehyde,senecialdehyde,3,3-dimethylacrolein,senecioaldehyde,2-butenal, 3-methyl,beta,beta-dimethylacrolein,crotonaldehyde, 3-methyl,beta-methylcrotonaldehyde |
| IUPAC Name | 3-methylbut-2-enal |
| InChI Key | SEPQTYODOKLVSB-UHFFFAOYSA-N |
| Molecular Formula | C5H8O |
Methyl (4-Hydroxybenzoyl)acetate 93.0+%, TCI America™
CAS: 32066-29-8 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00191516 InChI Key: VZOFEVHSVUBEPH-UHFFFAOYSA-N Synonym: (4-Hydroxybenzoyl)acetic Acid Methyl Ester, Methyl 3-(4-Hydroxyphenyl)-3-oxopropionate, 3-(4-Hydroxyphenyl)-3-oxopropionic Acid Methyl Ester PubChem CID: 508465 IUPAC Name: methyl 3-(4-hydroxyphenyl)-3-oxopropanoate SMILES: COC(=O)CC(=O)C1=CC=C(C=C1)O
| PubChem CID | 508465 |
|---|---|
| CAS | 32066-29-8 |
| Molecular Weight (g/mol) | 194.186 |
| MDL Number | MFCD00191516 |
| SMILES | COC(=O)CC(=O)C1=CC=C(C=C1)O |
| Synonym | (4-Hydroxybenzoyl)acetic Acid Methyl Ester, Methyl 3-(4-Hydroxyphenyl)-3-oxopropionate, 3-(4-Hydroxyphenyl)-3-oxopropionic Acid Methyl Ester |
| IUPAC Name | methyl 3-(4-hydroxyphenyl)-3-oxopropanoate |
| InChI Key | VZOFEVHSVUBEPH-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |