Organooxygen compounds
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3'-Bromo-4'-fluoroacetophenone, 98+%
CAS: 1007-15-4 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.04 MDL Number: MFCD00042466 InChI Key: SZDWTGAORQQQGY-UHFFFAOYSA-N Synonym: 3'-bromo-4'-fluoroacetophenone,3-bromo-4-fluoroacetophenone,1-3-bromo-4-fluorophenyl ethanone,1-3-bromo-4-fluorophenyl ethan-1-one,ethanone, 1-3-bromo-4-fluorophenyl,1-3-bromo-4-fluoro-phenyl-ethanone,1-acetyl-3-bromo-4-fluorobenzene,pubchem4100,acmc-1bol8,ksc499c8t PubChem CID: 70508 IUPAC Name: 1-(3-bromo-4-fluorophenyl)ethanone SMILES: CC(=O)C1=CC=C(F)C(Br)=C1
| PubChem CID | 70508 |
|---|---|
| CAS | 1007-15-4 |
| Molecular Weight (g/mol) | 217.04 |
| MDL Number | MFCD00042466 |
| SMILES | CC(=O)C1=CC=C(F)C(Br)=C1 |
| Synonym | 3'-bromo-4'-fluoroacetophenone,3-bromo-4-fluoroacetophenone,1-3-bromo-4-fluorophenyl ethanone,1-3-bromo-4-fluorophenyl ethan-1-one,ethanone, 1-3-bromo-4-fluorophenyl,1-3-bromo-4-fluoro-phenyl-ethanone,1-acetyl-3-bromo-4-fluorobenzene,pubchem4100,acmc-1bol8,ksc499c8t |
| IUPAC Name | 1-(3-bromo-4-fluorophenyl)ethanone |
| InChI Key | SZDWTGAORQQQGY-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO |
2-Bromo-2',4'-dimethoxyacetophenone, 98%
CAS: 60965-26-6 Molecular Formula: C10H11BrO3 Molecular Weight (g/mol): 259.099 MDL Number: MFCD00000197 InChI Key: PKVBZABQCCQHLD-UHFFFAOYSA-N Synonym: 2-bromo-1-2,4-dimethoxyphenyl ethanone,2-bromo-2',4'-dimethoxyacetophenone,2,4-dimethoxyphenacyl bromide,2-bromo-1-2',4'-dimethoxyphenyl ethanone,2-bromo-1-2,4-dimethoxyphenyl ethan-1-one,ethanone, 2-bromo-1-2,4-dimethoxyphenyl,2-bromo-2',4'-dimethoxyacetopheneone,1-2,4-dimethoxyphenyl-2-bromoethan-1-one,pubchem13433,acmc-1ba4l PubChem CID: 98683 IUPAC Name: 2-bromo-1-(2,4-dimethoxyphenyl)ethanone SMILES: COC1=CC(=C(C=C1)C(=O)CBr)OC
| PubChem CID | 98683 |
|---|---|
| CAS | 60965-26-6 |
| Molecular Weight (g/mol) | 259.099 |
| MDL Number | MFCD00000197 |
| SMILES | COC1=CC(=C(C=C1)C(=O)CBr)OC |
| Synonym | 2-bromo-1-2,4-dimethoxyphenyl ethanone,2-bromo-2',4'-dimethoxyacetophenone,2,4-dimethoxyphenacyl bromide,2-bromo-1-2',4'-dimethoxyphenyl ethanone,2-bromo-1-2,4-dimethoxyphenyl ethan-1-one,ethanone, 2-bromo-1-2,4-dimethoxyphenyl,2-bromo-2',4'-dimethoxyacetopheneone,1-2,4-dimethoxyphenyl-2-bromoethan-1-one,pubchem13433,acmc-1ba4l |
| IUPAC Name | 2-bromo-1-(2,4-dimethoxyphenyl)ethanone |
| InChI Key | PKVBZABQCCQHLD-UHFFFAOYSA-N |
| Molecular Formula | C10H11BrO3 |
Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate, 99+%
CAS: 6289-46-9 Molecular Formula: C10H12O6 Molecular Weight (g/mol): 228.20 MDL Number: MFCD00001607 InChI Key: MHKKFFHWMKEBDW-UHFFFAOYNA-N Synonym: dimethyl succinylsuccinate,dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate,succinosuccinic acid, dimethyl ester,dmss,dimethyl succinylosuccinate,dimethyl 2,5-dioxo-1,4-cyclohexanedicarboxylate,dimethyl succinylo succinate,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester,2,5-dioxo-1,4-cyclohexanedicarboxylic acid dimethyl ester,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester PubChem CID: 94866 SMILES: COC(=O)C1CC(=O)C(CC1=O)C(=O)OC
| PubChem CID | 94866 |
|---|---|
| CAS | 6289-46-9 |
| Molecular Weight (g/mol) | 228.20 |
| MDL Number | MFCD00001607 |
| SMILES | COC(=O)C1CC(=O)C(CC1=O)C(=O)OC |
| Synonym | dimethyl succinylsuccinate,dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate,succinosuccinic acid, dimethyl ester,dmss,dimethyl succinylosuccinate,dimethyl 2,5-dioxo-1,4-cyclohexanedicarboxylate,dimethyl succinylo succinate,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester,2,5-dioxo-1,4-cyclohexanedicarboxylic acid dimethyl ester,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester |
| InChI Key | MHKKFFHWMKEBDW-UHFFFAOYNA-N |
| Molecular Formula | C10H12O6 |
Ethyl 3-ethoxypropionate, 99+%
CAS: 763-69-9 Molecular Formula: C7H14O3 Molecular Weight (g/mol): 146.186 MDL Number: MFCD00051356 InChI Key: BHXIWUJLHYHGSJ-UHFFFAOYSA-N Synonym: ethyl 3-ethoxypropionate,3-ethoxypropionic acid ethyl ester,propanoic acid, 3-ethoxy-, ethyl ester,eep solvent,ethoxypropionic acid, ethyl ester,ethyl beta-ethoxypropionate,unii-ec38rsj79j,propionic acid, 3-ethoxy-, ethyl ester,ethyl-3-ethoxypropionate,ethylester kyseliny 3-ethoxypropionove PubChem CID: 12989 IUPAC Name: ethyl 3-ethoxypropanoate SMILES: CCOCCC(=O)OCC
| PubChem CID | 12989 |
|---|---|
| CAS | 763-69-9 |
| Molecular Weight (g/mol) | 146.186 |
| MDL Number | MFCD00051356 |
| SMILES | CCOCCC(=O)OCC |
| Synonym | ethyl 3-ethoxypropionate,3-ethoxypropionic acid ethyl ester,propanoic acid, 3-ethoxy-, ethyl ester,eep solvent,ethoxypropionic acid, ethyl ester,ethyl beta-ethoxypropionate,unii-ec38rsj79j,propionic acid, 3-ethoxy-, ethyl ester,ethyl-3-ethoxypropionate,ethylester kyseliny 3-ethoxypropionove |
| IUPAC Name | ethyl 3-ethoxypropanoate |
| InChI Key | BHXIWUJLHYHGSJ-UHFFFAOYSA-N |
| Molecular Formula | C7H14O3 |
Alprostadil, USP, 95-105%, Spectrum™ Chemical
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CAS: 745-65-3 Molecular Formula: C20H34O5 Molecular Weight (g/mol): 354.49 InChI Key: GMVPRGQOIOIIMI-DWKJAMRDSA-N IUPAC Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid SMILES: CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
| CAS | 745-65-3 |
|---|---|
| Molecular Weight (g/mol) | 354.49 |
| SMILES | CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O |
| IUPAC Name | 7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid |
| InChI Key | GMVPRGQOIOIIMI-DWKJAMRDSA-N |
| Molecular Formula | C20H34O5 |
5-Hydroxymethyl-2-furaldehyde, 97%
CAS: 67-47-0 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.111 MDL Number: MFCD00003234 InChI Key: NOEGNKMFWQHSLB-UHFFFAOYSA-N Synonym: 5-hydroxymethylfurfural,5-hydroxymethyl-2-furaldehyde,5-hydroxymethyl furfural,5-hydroxymethyl furan-2-carbaldehyde,hydroxymethylfurfural,5-hydroxymethyl-2-furfural,5-oxymethylfurfurole,5-hydroxymethylfuraldehyde,hydroxymethylfurfurole PubChem CID: 237332 ChEBI: CHEBI:412516 IUPAC Name: 5-(hydroxymethyl)furan-2-carbaldehyde SMILES: C1=C(OC(=C1)C=O)CO
| PubChem CID | 237332 |
|---|---|
| CAS | 67-47-0 |
| Molecular Weight (g/mol) | 126.111 |
| ChEBI | CHEBI:412516 |
| MDL Number | MFCD00003234 |
| SMILES | C1=C(OC(=C1)C=O)CO |
| Synonym | 5-hydroxymethylfurfural,5-hydroxymethyl-2-furaldehyde,5-hydroxymethyl furfural,5-hydroxymethyl furan-2-carbaldehyde,hydroxymethylfurfural,5-hydroxymethyl-2-furfural,5-oxymethylfurfurole,5-hydroxymethylfuraldehyde,hydroxymethylfurfurole |
| IUPAC Name | 5-(hydroxymethyl)furan-2-carbaldehyde |
| InChI Key | NOEGNKMFWQHSLB-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3 |
11-Bromo-1-undecanol, 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 |
|---|---|
| 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 |
tert-Butyl Ethyl Ether, 97%
CAS: 637-92-3 Molecular Formula: C6H14O Molecular Weight (g/mol): 102.18 MDL Number: MFCD00009225 InChI Key: NUMQCACRALPSHD-UHFFFAOYSA-N Synonym: tert-butyl ethyl ether,ethyl tert-butyl ether,etbe,propane, 2-ethoxy-2-methyl,ethyl tert-butyl oxide,ether, tert-butyl ethyl,2-methyl-2-ethoxypropane,ethyl t-butyl ether,tert-butylethylether,methyl-2-ethoxypropane PubChem CID: 12512 IUPAC Name: 2-ethoxy-2-methylpropane SMILES: CCOC(C)(C)C
| PubChem CID | 12512 |
|---|---|
| CAS | 637-92-3 |
| Molecular Weight (g/mol) | 102.18 |
| MDL Number | MFCD00009225 |
| SMILES | CCOC(C)(C)C |
| Synonym | tert-butyl ethyl ether,ethyl tert-butyl ether,etbe,propane, 2-ethoxy-2-methyl,ethyl tert-butyl oxide,ether, tert-butyl ethyl,2-methyl-2-ethoxypropane,ethyl t-butyl ether,tert-butylethylether,methyl-2-ethoxypropane |
| IUPAC Name | 2-ethoxy-2-methylpropane |
| InChI Key | NUMQCACRALPSHD-UHFFFAOYSA-N |
| Molecular Formula | C6H14O |
2-Methyl-2-pentanol, 99%
CAS: 590-36-3 Molecular Formula: C6H14O Molecular Weight (g/mol): 102.18 MDL Number: MFCD00004485 InChI Key: WFRBDWRZVBPBDO-UHFFFAOYSA-N Synonym: 2-methyl-2-pentanol,2-pentanol, 2-methyl,2-hydroxy-2-methylpentane,unii-hu2so831kp,dimethylpropylcarbinol,hu2so831kp,1,1-dimethylbutanol,methyl-2 pentanol-2,2-methyl-2-hydroxypentane,acmc-209m9l PubChem CID: 11543 IUPAC Name: 2-methylpentan-2-ol SMILES: CCCC(C)(C)O
| PubChem CID | 11543 |
|---|---|
| CAS | 590-36-3 |
| Molecular Weight (g/mol) | 102.18 |
| MDL Number | MFCD00004485 |
| SMILES | CCCC(C)(C)O |
| Synonym | 2-methyl-2-pentanol,2-pentanol, 2-methyl,2-hydroxy-2-methylpentane,unii-hu2so831kp,dimethylpropylcarbinol,hu2so831kp,1,1-dimethylbutanol,methyl-2 pentanol-2,2-methyl-2-hydroxypentane,acmc-209m9l |
| IUPAC Name | 2-methylpentan-2-ol |
| InChI Key | WFRBDWRZVBPBDO-UHFFFAOYSA-N |
| Molecular Formula | C6H14O |
1,1,1-Trifluoro-2,4-pentanedione, 98%
CAS: 367-57-7 Molecular Formula: C5H5F3O2 Molecular Weight (g/mol): 154.09 MDL Number: MFCD00000427 InChI Key: SHXHPUAKLCCLDV-UHFFFAOYSA-N Synonym: 1,1,1-trifluoro-2,4-pentanedione,trifluoroacetylacetone,1,1,1-trifluoroacetylacetone,trifluoroacetyl acetone,acetyl trifluoroacetone,2,4-pentanedione, 1,1,1-trifluoro,tfpd-h,unii-9n20a8g8sw,alpha,alpha,alpha-trifluoroacetylacetone,a,a,a-trifluoroacetylacetone PubChem CID: 73943 IUPAC Name: 1,1,1-trifluoropentane-2,4-dione SMILES: CC(=O)CC(=O)C(F)(F)F
| PubChem CID | 73943 |
|---|---|
| CAS | 367-57-7 |
| Molecular Weight (g/mol) | 154.09 |
| MDL Number | MFCD00000427 |
| SMILES | CC(=O)CC(=O)C(F)(F)F |
| Synonym | 1,1,1-trifluoro-2,4-pentanedione,trifluoroacetylacetone,1,1,1-trifluoroacetylacetone,trifluoroacetyl acetone,acetyl trifluoroacetone,2,4-pentanedione, 1,1,1-trifluoro,tfpd-h,unii-9n20a8g8sw,alpha,alpha,alpha-trifluoroacetylacetone,a,a,a-trifluoroacetylacetone |
| IUPAC Name | 1,1,1-trifluoropentane-2,4-dione |
| InChI Key | SHXHPUAKLCCLDV-UHFFFAOYSA-N |
| Molecular Formula | C5H5F3O2 |
trans-2,cis-6-Nonadienal, 90+% (major isomer), remainder mainly trans,trans-isomer
CAS: 557-48-2 Molecular Formula: C9H14O Molecular Weight (g/mol): 138.21 MDL Number: MFCD00007009 InChI Key: HZYHMHHBBBSGHB-ODYTWBPASA-N Synonym: trans-2,cis-6-nonadienal,violet leaf aldehyde,cucumber aldehyde,2e,6z-nona-2,6-dienal,2,6-nonadienal, 2e,6z,nona-2,6-dienal,e,z-2,6-nonadienal,2e,6z-nonadienal,2e,6z-nona-2,6-dien-1-al,2-trans-6-cis-nonadienal PubChem CID: 643731 ChEBI: CHEBI:7610 IUPAC Name: (2E,6Z)-nona-2,6-dienal SMILES: CCC=CCCC=CC=O
| PubChem CID | 643731 |
|---|---|
| CAS | 557-48-2 |
| Molecular Weight (g/mol) | 138.21 |
| ChEBI | CHEBI:7610 |
| MDL Number | MFCD00007009 |
| SMILES | CCC=CCCC=CC=O |
| Synonym | trans-2,cis-6-nonadienal,violet leaf aldehyde,cucumber aldehyde,2e,6z-nona-2,6-dienal,2,6-nonadienal, 2e,6z,nona-2,6-dienal,e,z-2,6-nonadienal,2e,6z-nonadienal,2e,6z-nona-2,6-dien-1-al,2-trans-6-cis-nonadienal |
| IUPAC Name | (2E,6Z)-nona-2,6-dienal |
| InChI Key | HZYHMHHBBBSGHB-ODYTWBPASA-N |
| Molecular Formula | C9H14O |
2,4-Hexadienal, predominantly trans,trans, 95%
CAS: 142-83-6 Molecular Formula: C6H8O Molecular Weight (g/mol): 96.129 MDL Number: MFCD00007004 InChI Key: BATOPAZDIZEVQF-MQQKCMAXSA-N Synonym: 2,4-hexadienal,hexa-2,4-dienal,sorbaldehyde,sorbic aldehyde,trans,trans-2,4-hexadienal,2e,4e-hexa-2,4-dienal,2,4-hexadienal, 2e,4e,2,4-hexadienal, e,e,2-propyleneacrolein,3-propyleneacrolein PubChem CID: 637564 ChEBI: CHEBI:82334 IUPAC Name: (2E,4E)-hexa-2,4-dienal SMILES: CC=CC=CC=O
| PubChem CID | 637564 |
|---|---|
| CAS | 142-83-6 |
| Molecular Weight (g/mol) | 96.129 |
| ChEBI | CHEBI:82334 |
| MDL Number | MFCD00007004 |
| SMILES | CC=CC=CC=O |
| Synonym | 2,4-hexadienal,hexa-2,4-dienal,sorbaldehyde,sorbic aldehyde,trans,trans-2,4-hexadienal,2e,4e-hexa-2,4-dienal,2,4-hexadienal, 2e,4e,2,4-hexadienal, e,e,2-propyleneacrolein,3-propyleneacrolein |
| IUPAC Name | (2E,4E)-hexa-2,4-dienal |
| InChI Key | BATOPAZDIZEVQF-MQQKCMAXSA-N |
| Molecular Formula | C6H8O |
2-Acetyl-5-bromothiophene, 99%
CAS: 5370-25-2 Molecular Formula: C6H5BrOS Molecular Weight (g/mol): 205.069 MDL Number: MFCD00014528 InChI Key: IGBZCOWXSCWSHO-UHFFFAOYSA-N Synonym: 2-acetyl-5-bromothiophene,1-5-bromothiophen-2-yl ethanone,ethanone, 1-5-bromo-2-thienyl,1-5-bromo-2-thienyl ethan-1-one,1-5-bromothiophen-2-yl ethan-1-one,5-bromo-2-thienyl methyl ketone,2-acetyl-5-bromo thiophene,ketone, 5-bromo-2-thienyl methyl,2-acetyl-5-bromo-thiophene,1-5-bromo-2-thienyl ethanone PubChem CID: 79335 IUPAC Name: 1-(5-bromothiophen-2-yl)ethanone SMILES: CC(=O)C1=CC=C(S1)Br
| PubChem CID | 79335 |
|---|---|
| CAS | 5370-25-2 |
| Molecular Weight (g/mol) | 205.069 |
| MDL Number | MFCD00014528 |
| SMILES | CC(=O)C1=CC=C(S1)Br |
| Synonym | 2-acetyl-5-bromothiophene,1-5-bromothiophen-2-yl ethanone,ethanone, 1-5-bromo-2-thienyl,1-5-bromo-2-thienyl ethan-1-one,1-5-bromothiophen-2-yl ethan-1-one,5-bromo-2-thienyl methyl ketone,2-acetyl-5-bromo thiophene,ketone, 5-bromo-2-thienyl methyl,2-acetyl-5-bromo-thiophene,1-5-bromo-2-thienyl ethanone |
| IUPAC Name | 1-(5-bromothiophen-2-yl)ethanone |
| InChI Key | IGBZCOWXSCWSHO-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrOS |
3-Hydroxypropionitrile, 97%
CAS: 109-78-4 Molecular Formula: C3H5NO Molecular Weight (g/mol): 71.079 MDL Number: MFCD00002826 InChI Key: WSGYTJNNHPZFKR-UHFFFAOYSA-N Synonym: 3-hydroxypropionitrile,hydracrylonitrile,2-cyanoethanol,ethylene cyanohydrin,propanenitrile, 3-hydroxy,beta-cyanoethanol,glycol cyanohydrin,methanolacetonitrile,hydroxypropanenitrile,2-hydroxycyanoethane PubChem CID: 8011 IUPAC Name: 3-hydroxypropanenitrile SMILES: C(CO)C#N
| PubChem CID | 8011 |
|---|---|
| CAS | 109-78-4 |
| Molecular Weight (g/mol) | 71.079 |
| MDL Number | MFCD00002826 |
| SMILES | C(CO)C#N |
| Synonym | 3-hydroxypropionitrile,hydracrylonitrile,2-cyanoethanol,ethylene cyanohydrin,propanenitrile, 3-hydroxy,beta-cyanoethanol,glycol cyanohydrin,methanolacetonitrile,hydroxypropanenitrile,2-hydroxycyanoethane |
| IUPAC Name | 3-hydroxypropanenitrile |
| InChI Key | WSGYTJNNHPZFKR-UHFFFAOYSA-N |
| Molecular Formula | C3H5NO |
2,4-Dimethoxybenzaldehyde, 98%
CAS: 613-45-6 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00003311 InChI Key: LWRSYTXEQUUTKW-UHFFFAOYSA-N Synonym: benzaldehyde, 2,4-dimethoxy,2,4-dimethoxybenzaldehyd,2,4-dimethoxy-benzaldehyde,2,4-bis methyloxy benzaldehyde,ameba resin,pubchem8220,acmc-209mro,2,4dimethoxybenzaldehyde,argopore tm-mb-cho,2,4-dimethoxybenzaldehye PubChem CID: 69175 IUPAC Name: 2,4-dimethoxybenzaldehyde SMILES: COC1=CC(=C(C=C1)C=O)OC
| PubChem CID | 69175 |
|---|---|
| CAS | 613-45-6 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00003311 |
| SMILES | COC1=CC(=C(C=C1)C=O)OC |
| Synonym | benzaldehyde, 2,4-dimethoxy,2,4-dimethoxybenzaldehyd,2,4-dimethoxy-benzaldehyde,2,4-bis methyloxy benzaldehyde,ameba resin,pubchem8220,acmc-209mro,2,4dimethoxybenzaldehyde,argopore tm-mb-cho,2,4-dimethoxybenzaldehye |
| IUPAC Name | 2,4-dimethoxybenzaldehyde |
| InChI Key | LWRSYTXEQUUTKW-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |