Organooxygen compounds
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6,7-Dihydro-4(5H)-benzofuranone, 98%
CAS: 16806-93-2 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00215511 InChI Key: DXWQOYPYNPSVRL-UHFFFAOYSA-N Synonym: 6,7-dihydro-4 5h-benzofuranone,6,7-dihydrobenzofuran-4 5h-one,4,5,6,7-tetrahydro-1-benzofuran-4-one,6,7-dihydro-1-benzofuran-4 5h-one,4 5h-benzofuranone, 6,7-dihydro,pubchem14044,6,7-dihydro-4 5h benzo-furanone,6,7-dihydro-5h-benzofuran-4-one,6?7-dihydro-4 5h-benzofuranone,6,7-dihydro-4-5h-benzofuranone PubChem CID: 2733541 IUPAC Name: 6,7-dihydro-5H-1-benzofuran-4-one SMILES: C1CC2=C(C=CO2)C(=O)C1
| PubChem CID | 2733541 |
|---|---|
| CAS | 16806-93-2 |
| Molecular Weight (g/mol) | 136.15 |
| MDL Number | MFCD00215511 |
| SMILES | C1CC2=C(C=CO2)C(=O)C1 |
| Synonym | 6,7-dihydro-4 5h-benzofuranone,6,7-dihydrobenzofuran-4 5h-one,4,5,6,7-tetrahydro-1-benzofuran-4-one,6,7-dihydro-1-benzofuran-4 5h-one,4 5h-benzofuranone, 6,7-dihydro,pubchem14044,6,7-dihydro-4 5h benzo-furanone,6,7-dihydro-5h-benzofuran-4-one,6?7-dihydro-4 5h-benzofuranone,6,7-dihydro-4-5h-benzofuranone |
| IUPAC Name | 6,7-dihydro-5H-1-benzofuran-4-one |
| InChI Key | DXWQOYPYNPSVRL-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
3-Methoxypropionic acid, 97+%
CAS: 2544-06-1 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.11 InChI Key: YSIKHBWUBSFBRZ-UHFFFAOYSA-N PubChem CID: 134442 IUPAC Name: 3-methoxypropanoic acid SMILES: COCCC(=O)O
| PubChem CID | 134442 |
|---|---|
| CAS | 2544-06-1 |
| Molecular Weight (g/mol) | 104.11 |
| SMILES | COCCC(=O)O |
| IUPAC Name | 3-methoxypropanoic acid |
| InChI Key | YSIKHBWUBSFBRZ-UHFFFAOYSA-N |
| Molecular Formula | C4H8O3 |
(S)-(+)-2-Methoxypropanol, 97%
CAS: 116422-39-0 Molecular Formula: C4H10O2 Molecular Weight (g/mol): 90.12 MDL Number: MFCD01632593 InChI Key: YTTFFPATQICAQN-BYPYZUCNSA-N Synonym: 2s-2-methoxypropan-1-ol,s-+-2-methoxypropanol,s-2-methoxypropan-1-ol,unii-6725gr28fg,2-methoxy-1-propanol, 2s,1-propanol, 2-methoxy-, 2s,2s-2-methoxy-1-propanol,s-2-methoxy-1-propanol,2-s-methoxypropan-1-ol,1-propanol, 2-methoxy-, s PubChem CID: 642402 IUPAC Name: (2S)-2-methoxypropan-1-ol SMILES: CC(CO)OC
| PubChem CID | 642402 |
|---|---|
| CAS | 116422-39-0 |
| Molecular Weight (g/mol) | 90.12 |
| MDL Number | MFCD01632593 |
| SMILES | CC(CO)OC |
| Synonym | 2s-2-methoxypropan-1-ol,s-+-2-methoxypropanol,s-2-methoxypropan-1-ol,unii-6725gr28fg,2-methoxy-1-propanol, 2s,1-propanol, 2-methoxy-, 2s,2s-2-methoxy-1-propanol,s-2-methoxy-1-propanol,2-s-methoxypropan-1-ol,1-propanol, 2-methoxy-, s |
| IUPAC Name | (2S)-2-methoxypropan-1-ol |
| InChI Key | YTTFFPATQICAQN-BYPYZUCNSA-N |
| Molecular Formula | C4H10O2 |
3-Hydroxybenzaldehyde, 97%
CAS: 100-83-4 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.123 MDL Number: MFCD00003368 InChI Key: IAVREABSGIHHMO-UHFFFAOYSA-N Synonym: m-formylphenol,m-hydroxybenzaldehyde,3-formylphenol,benzaldehyde, 3-hydroxy,meta-hydroxybenzaldehyde,benzaldehyde, m-hydroxy,3-hydroxy-benzaldehyde,3-hydroxy benzaldehyde,3-hydroxybenzaldehyd,3-hydroxylbenzaldehyde PubChem CID: 101 ChEBI: CHEBI:16207 IUPAC Name: 3-hydroxybenzaldehyde SMILES: C1=CC(=CC(=C1)O)C=O
| PubChem CID | 101 |
|---|---|
| CAS | 100-83-4 |
| Molecular Weight (g/mol) | 122.123 |
| ChEBI | CHEBI:16207 |
| MDL Number | MFCD00003368 |
| SMILES | C1=CC(=CC(=C1)O)C=O |
| Synonym | m-formylphenol,m-hydroxybenzaldehyde,3-formylphenol,benzaldehyde, 3-hydroxy,meta-hydroxybenzaldehyde,benzaldehyde, m-hydroxy,3-hydroxy-benzaldehyde,3-hydroxy benzaldehyde,3-hydroxybenzaldehyd,3-hydroxylbenzaldehyde |
| IUPAC Name | 3-hydroxybenzaldehyde |
| InChI Key | IAVREABSGIHHMO-UHFFFAOYSA-N |
| Molecular Formula | C7H6O2 |
Diethoxymethane, 99%, stab. with 100ppm BHT
CAS: 462-95-3 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00009246 InChI Key: KLKFAASOGCDTDT-UHFFFAOYSA-N Synonym: diethoxymethane,ethylal,formaldehyde diethyl acetal,diethylformal,diethoxy methane,methane, diethoxy,ethoxymethoxy ethane,ethoxymethyl ethyl ether,1,1-diethoxymethane,3,5-dioxaheptene PubChem CID: 10024 IUPAC Name: ethoxymethoxyethane SMILES: CCOCOCC
| PubChem CID | 10024 |
|---|---|
| CAS | 462-95-3 |
| Molecular Weight (g/mol) | 104.15 |
| MDL Number | MFCD00009246 |
| SMILES | CCOCOCC |
| Synonym | diethoxymethane,ethylal,formaldehyde diethyl acetal,diethylformal,diethoxy methane,methane, diethoxy,ethoxymethoxy ethane,ethoxymethyl ethyl ether,1,1-diethoxymethane,3,5-dioxaheptene |
| IUPAC Name | ethoxymethoxyethane |
| InChI Key | KLKFAASOGCDTDT-UHFFFAOYSA-N |
| Molecular Formula | C5H12O2 |
3,5-Dihydroxybenzaldehyde, 98%
CAS: 26153-38-8 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00016611 InChI Key: HAQLHRYUDBKTJG-UHFFFAOYSA-N Synonym: benzaldehyde, 3,5-dihydroxy,3,5-dihydroxy benzaldehyde,5-formylresorcinol,5-formylbenzene-1,3-diol,pubchem8249,alpha-resorcylic aldehyde,acmc-1cg7h,3,5-dihydoxybenzal dehyde,3,5-dihydroxy-benzaldehyde,.alpha.-resorcylic aldehyde PubChem CID: 94365 ChEBI: CHEBI:50204 IUPAC Name: 3,5-dihydroxybenzaldehyde SMILES: OC1=CC(C=O)=CC(O)=C1
| PubChem CID | 94365 |
|---|---|
| CAS | 26153-38-8 |
| Molecular Weight (g/mol) | 138.12 |
| ChEBI | CHEBI:50204 |
| MDL Number | MFCD00016611 |
| SMILES | OC1=CC(C=O)=CC(O)=C1 |
| Synonym | benzaldehyde, 3,5-dihydroxy,3,5-dihydroxy benzaldehyde,5-formylresorcinol,5-formylbenzene-1,3-diol,pubchem8249,alpha-resorcylic aldehyde,acmc-1cg7h,3,5-dihydoxybenzal dehyde,3,5-dihydroxy-benzaldehyde,.alpha.-resorcylic aldehyde |
| IUPAC Name | 3,5-dihydroxybenzaldehyde |
| InChI Key | HAQLHRYUDBKTJG-UHFFFAOYSA-N |
| Molecular Formula | C7H6O3 |
2,4-Dibromo-3-pentanone, mixture of stereoisomers, 97%
CAS: 815-60-1 Molecular Formula: C5H8Br2O Molecular Weight (g/mol): 243.926 MDL Number: MFCD00015719 InChI Key: UOPIOAUZQKSZRO-UHFFFAOYSA-N Synonym: 2,4-dibromo-3-pentanone,2,4-dibromo-pentan-3-one,3-pentanone,2,4-dibromo,2,4-bis bromanyl pentan-3-one,2,4-dibromo-3-pentanone, mixture of stereoisomers PubChem CID: 11791395 IUPAC Name: 2,4-dibromopentan-3-one SMILES: CC(C(=O)C(C)Br)Br
| PubChem CID | 11791395 |
|---|---|
| CAS | 815-60-1 |
| Molecular Weight (g/mol) | 243.926 |
| MDL Number | MFCD00015719 |
| SMILES | CC(C(=O)C(C)Br)Br |
| Synonym | 2,4-dibromo-3-pentanone,2,4-dibromo-pentan-3-one,3-pentanone,2,4-dibromo,2,4-bis bromanyl pentan-3-one,2,4-dibromo-3-pentanone, mixture of stereoisomers |
| IUPAC Name | 2,4-dibromopentan-3-one |
| InChI Key | UOPIOAUZQKSZRO-UHFFFAOYSA-N |
| Molecular Formula | C5H8Br2O |
2-Acetyl-5-methylthiophene, 98%
CAS: 13679-74-8 Molecular Formula: C7H8OS Molecular Weight (g/mol): 140.20 MDL Number: MFCD00014529 InChI Key: YOSDTJYMDAEEAZ-UHFFFAOYSA-N Synonym: 2-acetyl-5-methylthiophene,1-5-methylthiophen-2-yl ethanone,ketone, methyl 5-methyl-2-thienyl,1-5-methyl-2-thienyl ethan-1-one,2-methyl-5-acetylthiophene,ethanone, 1-5-methyl-2-thienyl,methylthienylcetone,1-5-methyl-2-thienyl ethanone,5-methyl-2-acetylthiophene,methyl 5-methyl-2-thienyl ketone PubChem CID: 83655 IUPAC Name: 1-(5-methylthiophen-2-yl)ethanone SMILES: CC(=O)C1=CC=C(C)S1
| PubChem CID | 83655 |
|---|---|
| CAS | 13679-74-8 |
| Molecular Weight (g/mol) | 140.20 |
| MDL Number | MFCD00014529 |
| SMILES | CC(=O)C1=CC=C(C)S1 |
| Synonym | 2-acetyl-5-methylthiophene,1-5-methylthiophen-2-yl ethanone,ketone, methyl 5-methyl-2-thienyl,1-5-methyl-2-thienyl ethan-1-one,2-methyl-5-acetylthiophene,ethanone, 1-5-methyl-2-thienyl,methylthienylcetone,1-5-methyl-2-thienyl ethanone,5-methyl-2-acetylthiophene,methyl 5-methyl-2-thienyl ketone |
| IUPAC Name | 1-(5-methylthiophen-2-yl)ethanone |
| InChI Key | YOSDTJYMDAEEAZ-UHFFFAOYSA-N |
| Molecular Formula | C7H8OS |
2'-Amino-4',5'-dimethoxyacetophenone, 98%
CAS: 4101-30-8 Molecular Formula: C10H13NO3 Molecular Weight (g/mol): 195.218 MDL Number: MFCD00016646 InChI Key: KGKWXEGYKGTMAK-UHFFFAOYSA-N Synonym: 1-2-amino-4,5-dimethoxyphenyl ethanone,2'-amino-4',5'-dimethoxyacetophenone,2-amino-4,5-dimethoxyacetophenone,1-2-amino-4,5-dimethoxyphenyl ethan-1-one,1-2-amino-4,5-dimethoxyhenyl ethanone,ethanone, 1-2-amino-4,5-dimethoxyphenyl,1-acetyl-2-amino-4,5-dimethoxybenzene,pubchem4007,acmc-1arib,2-acetyl-4,5-dimethoxyaniline PubChem CID: 602085 IUPAC Name: 1-(2-amino-4,5-dimethoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1N)OC)OC
| PubChem CID | 602085 |
|---|---|
| CAS | 4101-30-8 |
| Molecular Weight (g/mol) | 195.218 |
| MDL Number | MFCD00016646 |
| SMILES | CC(=O)C1=CC(=C(C=C1N)OC)OC |
| Synonym | 1-2-amino-4,5-dimethoxyphenyl ethanone,2'-amino-4',5'-dimethoxyacetophenone,2-amino-4,5-dimethoxyacetophenone,1-2-amino-4,5-dimethoxyphenyl ethan-1-one,1-2-amino-4,5-dimethoxyhenyl ethanone,ethanone, 1-2-amino-4,5-dimethoxyphenyl,1-acetyl-2-amino-4,5-dimethoxybenzene,pubchem4007,acmc-1arib,2-acetyl-4,5-dimethoxyaniline |
| IUPAC Name | 1-(2-amino-4,5-dimethoxyphenyl)ethanone |
| InChI Key | KGKWXEGYKGTMAK-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO3 |
Ethyl methoxyacetate, 98%
CAS: 3938-96-3 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.132 MDL Number: MFCD00009176 InChI Key: JLEKJZUYWFJPMB-UHFFFAOYSA-N Synonym: ethyl methoxyacetate,acetic acid, methoxy-, ethyl ester,2-methoxy ethyl acetate,ethyl-3-oxabutanoate,methoxyacetic acid ethyl ester,methoxy acetic acid ethyl ester,ethyl-metoxyacetate,methylglycol acetate,ethyl methyloxy acetate,acmc-1cofg PubChem CID: 77544 IUPAC Name: ethyl 2-methoxyacetate SMILES: CCOC(=O)COC
| PubChem CID | 77544 |
|---|---|
| CAS | 3938-96-3 |
| Molecular Weight (g/mol) | 118.132 |
| MDL Number | MFCD00009176 |
| SMILES | CCOC(=O)COC |
| Synonym | ethyl methoxyacetate,acetic acid, methoxy-, ethyl ester,2-methoxy ethyl acetate,ethyl-3-oxabutanoate,methoxyacetic acid ethyl ester,methoxy acetic acid ethyl ester,ethyl-metoxyacetate,methylglycol acetate,ethyl methyloxy acetate,acmc-1cofg |
| IUPAC Name | ethyl 2-methoxyacetate |
| InChI Key | JLEKJZUYWFJPMB-UHFFFAOYSA-N |
| Molecular Formula | C5H10O3 |
2',5'-Dihydroxyacetophenone, 97%
CAS: 490-78-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002343 InChI Key: WLDWSGZHNBANIO-UHFFFAOYSA-N Synonym: 2',5'-dihydroxyacetophenone,1-2,5-dihydroxyphenyl ethanone,2-acetylhydroquinone,2,5-dihydroxyacetophenone,quinacetophenone,acetylhydroquinone,ethanone, 1-2,5-dihydroxyphenyl,1-2,5-dihydroxyphenyl ethan-1-one,acetylquinol,acetophenone, 2',5'-dihydroxy PubChem CID: 10279 IUPAC Name: 1-(2,5-dihydroxyphenyl)ethanone SMILES: CC(=O)C1=C(C=CC(=C1)O)O
| PubChem CID | 10279 |
|---|---|
| CAS | 490-78-8 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00002343 |
| SMILES | CC(=O)C1=C(C=CC(=C1)O)O |
| Synonym | 2',5'-dihydroxyacetophenone,1-2,5-dihydroxyphenyl ethanone,2-acetylhydroquinone,2,5-dihydroxyacetophenone,quinacetophenone,acetylhydroquinone,ethanone, 1-2,5-dihydroxyphenyl,1-2,5-dihydroxyphenyl ethan-1-one,acetylquinol,acetophenone, 2',5'-dihydroxy |
| IUPAC Name | 1-(2,5-dihydroxyphenyl)ethanone |
| InChI Key | WLDWSGZHNBANIO-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
| CAS | 2325-10-2 |
|---|---|
| MDL Number | MFCD00064255 |
Magnesium bromide ethyl etherate, 99%
CAS: 29858-07-9 Molecular Formula: C4H10Br2MgO Molecular Weight (g/mol): 258.24 MDL Number: MFCD00064500 InChI Key: JGZKUKYUQJUUNE-UHFFFAOYSA-L Synonym: magnesium bromide diethyl etherate,magnesium bromide etherate,magnesium bromide ethyl etherate,grignard reagent PubChem CID: 11010650 IUPAC Name: magnesium;ethoxyethane;dibromide SMILES: Br[Mg]Br.CCOCC
| PubChem CID | 11010650 |
|---|---|
| CAS | 29858-07-9 |
| Molecular Weight (g/mol) | 258.24 |
| MDL Number | MFCD00064500 |
| SMILES | Br[Mg]Br.CCOCC |
| Synonym | magnesium bromide diethyl etherate,magnesium bromide etherate,magnesium bromide ethyl etherate,grignard reagent |
| IUPAC Name | magnesium;ethoxyethane;dibromide |
| InChI Key | JGZKUKYUQJUUNE-UHFFFAOYSA-L |
| Molecular Formula | C4H10Br2MgO |
3-Fluorosalicylaldehyde
CAS: 394-50-3 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.11 MDL Number: MFCD00003319 InChI Key: NWDHTEIVMDYWQJ-UHFFFAOYSA-N Synonym: 3-fluorosalicylaldehyde,3-fluoro-2-hydroxy-benzaldehyde,benzaldehyde, 3-fluoro-2-hydroxy,zlchem 257,pubchem4215,3-fluor-salicylaldehyd,acmc-209j5k,ksc497m8b,2-hydroxy-3-fluoro-benzaldehyde PubChem CID: 587788 IUPAC Name: 3-fluoro-2-hydroxybenzaldehyde SMILES: OC1=C(C=O)C=CC=C1F
| PubChem CID | 587788 |
|---|---|
| CAS | 394-50-3 |
| Molecular Weight (g/mol) | 140.11 |
| MDL Number | MFCD00003319 |
| SMILES | OC1=C(C=O)C=CC=C1F |
| Synonym | 3-fluorosalicylaldehyde,3-fluoro-2-hydroxy-benzaldehyde,benzaldehyde, 3-fluoro-2-hydroxy,zlchem 257,pubchem4215,3-fluor-salicylaldehyd,acmc-209j5k,ksc497m8b,2-hydroxy-3-fluoro-benzaldehyde |
| IUPAC Name | 3-fluoro-2-hydroxybenzaldehyde |
| InChI Key | NWDHTEIVMDYWQJ-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO2 |
(-)-Shikimic acid, 98%
CAS: 138-59-0 Molecular Formula: C7H9O5- Molecular Weight (g/mol): 173.144 MDL Number: MFCD00066278 InChI Key: JXOHGGNKMLTUBP-HSUXUTPPSA-M Synonym: shikimic acid,shikimate,--shikimic acid,l-shikimic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-enecarboxylic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid,--shikimate,ccris 7681,unii-29ms2wi2nu,3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid PubChem CID: 7057976 ChEBI: CHEBI:36208 IUPAC Name: (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylate SMILES: C1C(C(C(C=C1C(=O)[O-])O)O)O
| PubChem CID | 7057976 |
|---|---|
| CAS | 138-59-0 |
| Molecular Weight (g/mol) | 173.144 |
| ChEBI | CHEBI:36208 |
| MDL Number | MFCD00066278 |
| SMILES | C1C(C(C(C=C1C(=O)[O-])O)O)O |
| Synonym | shikimic acid,shikimate,--shikimic acid,l-shikimic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-enecarboxylic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid,--shikimate,ccris 7681,unii-29ms2wi2nu,3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid |
| IUPAC Name | (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylate |
| InChI Key | JXOHGGNKMLTUBP-HSUXUTPPSA-M |
| Molecular Formula | C7H9O5- |