Organooxygen compounds
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Diethyl allylmalonate, 96%
CAS: 2049-80-1 Molecular Formula: C10H16O4 Molecular Weight (g/mol): 200.234 MDL Number: MFCD00009155 InChI Key: GDWAYKGILJJNBB-UHFFFAOYSA-N Synonym: diethyl allylmalonate,ethyl allylmalonate,diethyl 2-allylmalonate,allylmalonic acid diethyl ester,diethyl prop-2-enylpropanedioate,diethyl 2-prop-2-enyl malonate,malonic acid, allyl-, diethyl ester,propanedioic acid, 2-propenyl-, diethyl ester,diethyl 2-2-propenyl-1,3-propanedioate,allyl malonic acid PubChem CID: 74900 IUPAC Name: diethyl 2-prop-2-enylpropanedioate SMILES: CCOC(=O)C(CC=C)C(=O)OCC
| PubChem CID | 74900 |
|---|---|
| CAS | 2049-80-1 |
| Molecular Weight (g/mol) | 200.234 |
| MDL Number | MFCD00009155 |
| SMILES | CCOC(=O)C(CC=C)C(=O)OCC |
| Synonym | diethyl allylmalonate,ethyl allylmalonate,diethyl 2-allylmalonate,allylmalonic acid diethyl ester,diethyl prop-2-enylpropanedioate,diethyl 2-prop-2-enyl malonate,malonic acid, allyl-, diethyl ester,propanedioic acid, 2-propenyl-, diethyl ester,diethyl 2-2-propenyl-1,3-propanedioate,allyl malonic acid |
| IUPAC Name | diethyl 2-prop-2-enylpropanedioate |
| InChI Key | GDWAYKGILJJNBB-UHFFFAOYSA-N |
| Molecular Formula | C10H16O4 |
2-(Trichloroacetyl)pyrrole, 99+%
CAS: 35302-72-8 Molecular Formula: C6H4Cl3NO Molecular Weight (g/mol): 212.454 MDL Number: MFCD00128757 InChI Key: BBFDGMDENAEMKF-UHFFFAOYSA-N Synonym: 2-trichloroacetyl pyrrole,2,2,2-trichloro-1-1h-pyrrol-2-yl ethanone,2,2,2-trichloro-1-1h-pyrrol-2-yl ethan-1-one,2-trichloroacetyl-1h-pyrrole,2-trichloroacetylpyrrole,2,2,2-trichloro-1-1h-pyrrol-2-yl-ethanone,ethanone, 2,2,2-trichloro-1-1h-pyrrol-2-yl,2,2,2-trichloro-1-pyrrol-2-ylethan-1-one,trichloroacetyl pyrrole PubChem CID: 321487 IUPAC Name: 2,2,2-trichloro-1-(1H-pyrrol-2-yl)ethanone SMILES: C1=CNC(=C1)C(=O)C(Cl)(Cl)Cl
| PubChem CID | 321487 |
|---|---|
| CAS | 35302-72-8 |
| Molecular Weight (g/mol) | 212.454 |
| MDL Number | MFCD00128757 |
| SMILES | C1=CNC(=C1)C(=O)C(Cl)(Cl)Cl |
| Synonym | 2-trichloroacetyl pyrrole,2,2,2-trichloro-1-1h-pyrrol-2-yl ethanone,2,2,2-trichloro-1-1h-pyrrol-2-yl ethan-1-one,2-trichloroacetyl-1h-pyrrole,2-trichloroacetylpyrrole,2,2,2-trichloro-1-1h-pyrrol-2-yl-ethanone,ethanone, 2,2,2-trichloro-1-1h-pyrrol-2-yl,2,2,2-trichloro-1-pyrrol-2-ylethan-1-one,trichloroacetyl pyrrole |
| IUPAC Name | 2,2,2-trichloro-1-(1H-pyrrol-2-yl)ethanone |
| InChI Key | BBFDGMDENAEMKF-UHFFFAOYSA-N |
| Molecular Formula | C6H4Cl3NO |
3,5-Dimethyl-1-phenylpyrazole-4-carboxaldehyde, 99%, Thermo Scientific™
CAS: 22042-79-1 Molecular Formula: C12H12N2O Molecular Weight (g/mol): 200.24 MDL Number: MFCD00051396 InChI Key: VOMRTQQGXWPTJK-UHFFFAOYSA-N PubChem CID: 89179 IUPAC Name: 3,5-dimethyl-1-phenylpyrazole-4-carbaldehyde SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)C=O
| PubChem CID | 89179 |
|---|---|
| CAS | 22042-79-1 |
| Molecular Weight (g/mol) | 200.24 |
| MDL Number | MFCD00051396 |
| SMILES | CC1=C(C(=NN1C2=CC=CC=C2)C)C=O |
| IUPAC Name | 3,5-dimethyl-1-phenylpyrazole-4-carbaldehyde |
| InChI Key | VOMRTQQGXWPTJK-UHFFFAOYSA-N |
| Molecular Formula | C12H12N2O |
1-(3-Aminophenyl)ethanol, 98%
CAS: 2454-37-7 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.182 MDL Number: MFCD00007798 InChI Key: QPKNDHZQPGMLCJ-UHFFFAOYSA-N Synonym: 1-3-aminophenyl ethanol,3-1-hydroxyethyl aniline,m-1-hydroxyethyl aniline,m-amino-alpha-methylbenzyl alcohol,m-aminophenyl methyl carbinol,1-3-aminophenyl ethan-1-ol,3-amino-alpha-methylbenzyl alcohol,benzyl alcohol, m-amino-alpha-methyl,3-aminophenyl-1-ethanol,benzyl alcohol, m-amino-.alpha.-methyl PubChem CID: 222461 IUPAC Name: 1-(3-aminophenyl)ethanol SMILES: CC(C1=CC(=CC=C1)N)O
| PubChem CID | 222461 |
|---|---|
| CAS | 2454-37-7 |
| Molecular Weight (g/mol) | 137.182 |
| MDL Number | MFCD00007798 |
| SMILES | CC(C1=CC(=CC=C1)N)O |
| Synonym | 1-3-aminophenyl ethanol,3-1-hydroxyethyl aniline,m-1-hydroxyethyl aniline,m-amino-alpha-methylbenzyl alcohol,m-aminophenyl methyl carbinol,1-3-aminophenyl ethan-1-ol,3-amino-alpha-methylbenzyl alcohol,benzyl alcohol, m-amino-alpha-methyl,3-aminophenyl-1-ethanol,benzyl alcohol, m-amino-.alpha.-methyl |
| IUPAC Name | 1-(3-aminophenyl)ethanol |
| InChI Key | QPKNDHZQPGMLCJ-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO |
3-(2-Methoxy-3-pyridyl)acrylic acid, 95%
CAS: 131674-41-4 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.175 MDL Number: MFCD07781156 InChI Key: MTVRDAQJMCORAQ-SNAWJCMRSA-N Synonym: 3-2-methoxy-3-pyridyl acrylic acid,e-3-2-methoxypyridin-3-yl acrylic acid,3-2-methoxypyridin-3-yl acrylic acid,2e-3-2-methoxypyridin-3-yl prop-2-enoic acid,2e-3-2-methoxy 3-pyridyl prop-2-enoic acid PubChem CID: 14691926 IUPAC Name: (E)-3-(2-methoxypyridin-3-yl)prop-2-enoic acid SMILES: COC1=C(C=CC=N1)C=CC(=O)O
| PubChem CID | 14691926 |
|---|---|
| CAS | 131674-41-4 |
| Molecular Weight (g/mol) | 179.175 |
| MDL Number | MFCD07781156 |
| SMILES | COC1=C(C=CC=N1)C=CC(=O)O |
| Synonym | 3-2-methoxy-3-pyridyl acrylic acid,e-3-2-methoxypyridin-3-yl acrylic acid,3-2-methoxypyridin-3-yl acrylic acid,2e-3-2-methoxypyridin-3-yl prop-2-enoic acid,2e-3-2-methoxy 3-pyridyl prop-2-enoic acid |
| IUPAC Name | (E)-3-(2-methoxypyridin-3-yl)prop-2-enoic acid |
| InChI Key | MTVRDAQJMCORAQ-SNAWJCMRSA-N |
| Molecular Formula | C9H9NO3 |
6-(1-Pyrrolidinyl)pyridine-3-carboxaldehyde, 98%, Thermo Scientific Chemicals
CAS: 261715-39-3 Molecular Formula: C10H12N2O Molecular Weight (g/mol): 176.219 MDL Number: MFCD06200881 InChI Key: FFFAXGTZBUMKTI-UHFFFAOYSA-N Synonym: 6-1-pyrrolidinyl nicotinaldehyde,6-pyrrolidin-1-yl nicotinaldehyde,6-pyrrolidin-1-yl pyridine-3-carbaldehyde,6-pyrrolidin-1-yl pyridine-3-carboxaldehyde,6-1-pyrrolidinyl pyridine-3-carboxaldehyde,6-pyrrolidin-1-ylnicotinaldehyde,6-pyrrolidinylpyridine-3-carbaldehyde,6-1-pyrrolidino pyridine-3-carboxaldehyde,acmc-1cg5q,6-1-pyrrolidino nicotinaldehyde PubChem CID: 2794775 IUPAC Name: 6-pyrrolidin-1-ylpyridine-3-carbaldehyde SMILES: C1CCN(C1)C2=NC=C(C=C2)C=O
| PubChem CID | 2794775 |
|---|---|
| CAS | 261715-39-3 |
| Molecular Weight (g/mol) | 176.219 |
| MDL Number | MFCD06200881 |
| SMILES | C1CCN(C1)C2=NC=C(C=C2)C=O |
| Synonym | 6-1-pyrrolidinyl nicotinaldehyde,6-pyrrolidin-1-yl nicotinaldehyde,6-pyrrolidin-1-yl pyridine-3-carbaldehyde,6-pyrrolidin-1-yl pyridine-3-carboxaldehyde,6-1-pyrrolidinyl pyridine-3-carboxaldehyde,6-pyrrolidin-1-ylnicotinaldehyde,6-pyrrolidinylpyridine-3-carbaldehyde,6-1-pyrrolidino pyridine-3-carboxaldehyde,acmc-1cg5q,6-1-pyrrolidino nicotinaldehyde |
| IUPAC Name | 6-pyrrolidin-1-ylpyridine-3-carbaldehyde |
| InChI Key | FFFAXGTZBUMKTI-UHFFFAOYSA-N |
| Molecular Formula | C10H12N2O |
1-(4-Bromophenyl)-2-hydroxyethan-1-one, Thermo Scientific™
CAS: 3343-45-1 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00174275 InChI Key: FGROGLJVXNYNQC-UHFFFAOYSA-N Synonym: 1-4-bromophenyl-2-hydroxyethanone,1-4-bromophenyl-2-hydroxyethan-1-one,ethanone,1-4-bromophenyl-2-hydroxy,1-4-bromophenyl-2-hydroxy-1-ethanone,1-4-bromophenyl-2-hydroxyethane-1-one,p-bromphenacylalkohol,zlchem 616,bromophenylhydroxyethanone,p-bromo-a-hydroxy acetophenone,4-bromobenzoyl methanol PubChem CID: 520633 IUPAC Name: 1-(4-bromophenyl)-2-hydroxyethanone SMILES: C1=CC(=CC=C1C(=O)CO)Br
| PubChem CID | 520633 |
|---|---|
| CAS | 3343-45-1 |
| Molecular Weight (g/mol) | 215.046 |
| MDL Number | MFCD00174275 |
| SMILES | C1=CC(=CC=C1C(=O)CO)Br |
| Synonym | 1-4-bromophenyl-2-hydroxyethanone,1-4-bromophenyl-2-hydroxyethan-1-one,ethanone,1-4-bromophenyl-2-hydroxy,1-4-bromophenyl-2-hydroxy-1-ethanone,1-4-bromophenyl-2-hydroxyethane-1-one,p-bromphenacylalkohol,zlchem 616,bromophenylhydroxyethanone,p-bromo-a-hydroxy acetophenone,4-bromobenzoyl methanol |
| IUPAC Name | 1-(4-bromophenyl)-2-hydroxyethanone |
| InChI Key | FGROGLJVXNYNQC-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
4-(Trifluoroacetyl)toluene, 97%
CAS: 394-59-2 Molecular Formula: C9H7F3O Molecular Weight (g/mol): 188.149 MDL Number: MFCD00052338 InChI Key: DYILUJUELMWXAL-UHFFFAOYSA-N Synonym: 4-trifluoroacetyl toluene,2,2,2-trifluoro-1-p-tolyl ethanone,4'-methyl-2,2,2-trifluoroacetophenone,2,2,2-trifluoro-1-p-tolylethanone,2,2,2-trifluoro-1-4-methylphenyl ethanone,2,2,2-trifluoro-4'-methylacetophenone,2,2,2-trifluoro-1-4-methylphenyl ethan-1-one,2,2,2-trifluoro-1-p-tolyl-ethanone,4-trifluoroacetyltoluene,acmc-209j5m PubChem CID: 136237 IUPAC Name: 2,2,2-trifluoro-1-(4-methylphenyl)ethanone SMILES: CC1=CC=C(C=C1)C(=O)C(F)(F)F
| PubChem CID | 136237 |
|---|---|
| CAS | 394-59-2 |
| Molecular Weight (g/mol) | 188.149 |
| MDL Number | MFCD00052338 |
| SMILES | CC1=CC=C(C=C1)C(=O)C(F)(F)F |
| Synonym | 4-trifluoroacetyl toluene,2,2,2-trifluoro-1-p-tolyl ethanone,4'-methyl-2,2,2-trifluoroacetophenone,2,2,2-trifluoro-1-p-tolylethanone,2,2,2-trifluoro-1-4-methylphenyl ethanone,2,2,2-trifluoro-4'-methylacetophenone,2,2,2-trifluoro-1-4-methylphenyl ethan-1-one,2,2,2-trifluoro-1-p-tolyl-ethanone,4-trifluoroacetyltoluene,acmc-209j5m |
| IUPAC Name | 2,2,2-trifluoro-1-(4-methylphenyl)ethanone |
| InChI Key | DYILUJUELMWXAL-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O |
2-Methoxypyridine-3-carboxaldehyde, 97%
CAS: 71255-09-9 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD04115112 InChI Key: PIFFMIDNNWOQLK-UHFFFAOYSA-N Synonym: 2-methoxynicotinaldehyde,2-methoxy-3-pyridinecarboxaldehyde,2-methoxy-pyridine-3-carbaldehyde,2-methoxypyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 2-methoxy,2-methoxy-3-pyridine carboxaldehyde,3-pyridinecarboxaldehyde,2-methoxy,2-methoxy-3-pyridinecarbaldehyde,pubchem15124,2-methoxy-3-formyl-pyridine PubChem CID: 12533391 IUPAC Name: 2-methoxypyridine-3-carbaldehyde SMILES: COC1=C(C=CC=N1)C=O
| PubChem CID | 12533391 |
|---|---|
| CAS | 71255-09-9 |
| Molecular Weight (g/mol) | 137.138 |
| MDL Number | MFCD04115112 |
| SMILES | COC1=C(C=CC=N1)C=O |
| Synonym | 2-methoxynicotinaldehyde,2-methoxy-3-pyridinecarboxaldehyde,2-methoxy-pyridine-3-carbaldehyde,2-methoxypyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 2-methoxy,2-methoxy-3-pyridine carboxaldehyde,3-pyridinecarboxaldehyde,2-methoxy,2-methoxy-3-pyridinecarbaldehyde,pubchem15124,2-methoxy-3-formyl-pyridine |
| IUPAC Name | 2-methoxypyridine-3-carbaldehyde |
| InChI Key | PIFFMIDNNWOQLK-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
3',4',5'-Trimethoxyacetophenone, 99%
CAS: 1136-86-3 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.23 MDL Number: MFCD00008738 InChI Key: VUGQIIQFXCXZJU-UHFFFAOYSA-N Synonym: 3',4',5'-trimethoxyacetophenone,1-3,4,5-trimethoxyphenyl ethanone,3,4,5-trimethoxyacetophenone,ethanone, 1-3,4,5-trimethoxyphenyl,1-3,4,5-trimethoxyphenyl ethan-1-one,3,4,5-trimethoxy acetophenone,pubchem22820,acmc-1c5os,3,5-trimethoxy acetophenone,1-acetyl-3,4,5-trimethoxybenzene PubChem CID: 14345 ChEBI: CHEBI:86547 IUPAC Name: 1-(3,4,5-trimethoxyphenyl)ethanone SMILES: COC1=CC(=CC(OC)=C1OC)C(C)=O
| PubChem CID | 14345 |
|---|---|
| CAS | 1136-86-3 |
| Molecular Weight (g/mol) | 210.23 |
| ChEBI | CHEBI:86547 |
| MDL Number | MFCD00008738 |
| SMILES | COC1=CC(=CC(OC)=C1OC)C(C)=O |
| Synonym | 3',4',5'-trimethoxyacetophenone,1-3,4,5-trimethoxyphenyl ethanone,3,4,5-trimethoxyacetophenone,ethanone, 1-3,4,5-trimethoxyphenyl,1-3,4,5-trimethoxyphenyl ethan-1-one,3,4,5-trimethoxy acetophenone,pubchem22820,acmc-1c5os,3,5-trimethoxy acetophenone,1-acetyl-3,4,5-trimethoxybenzene |
| IUPAC Name | 1-(3,4,5-trimethoxyphenyl)ethanone |
| InChI Key | VUGQIIQFXCXZJU-UHFFFAOYSA-N |
| Molecular Formula | C11H14O4 |
5-Iodoisatin, 97%, Thermo Scientific Chemicals
CAS: 20780-76-1 Molecular Formula: C8H4INO2 Molecular Weight (g/mol): 273.029 MDL Number: MFCD00016899 InChI Key: OEUGDMOJQQLVAZ-UHFFFAOYSA-N Synonym: 5-iodoisatin,5-iodoindoline-2,3-dione,5-iodo isatin,5-iodoindole-2,3-dione,5-iodo-2,3-dioxoindoline,1h-indole-2,3-dione, 5-iodo,5-iodo-2,3-dihydro-1h-indole-2,3-dione,5-iodo-1h-benzo d azolidine-2,3-dione,5-iodo-isatine,5-iodo-isatin PubChem CID: 88695 IUPAC Name: 5-iodo-1H-indole-2,3-dione SMILES: C1=CC2=C(C=C1I)C(=O)C(=O)N2
| PubChem CID | 88695 |
|---|---|
| CAS | 20780-76-1 |
| Molecular Weight (g/mol) | 273.029 |
| MDL Number | MFCD00016899 |
| SMILES | C1=CC2=C(C=C1I)C(=O)C(=O)N2 |
| Synonym | 5-iodoisatin,5-iodoindoline-2,3-dione,5-iodo isatin,5-iodoindole-2,3-dione,5-iodo-2,3-dioxoindoline,1h-indole-2,3-dione, 5-iodo,5-iodo-2,3-dihydro-1h-indole-2,3-dione,5-iodo-1h-benzo d azolidine-2,3-dione,5-iodo-isatine,5-iodo-isatin |
| IUPAC Name | 5-iodo-1H-indole-2,3-dione |
| InChI Key | OEUGDMOJQQLVAZ-UHFFFAOYSA-N |
| Molecular Formula | C8H4INO2 |
1-Octen-3-one, 97%, stab. with 0.1% BHA
CAS: 4312-99-6 Molecular Formula: C8H14O Molecular Weight (g/mol): 126.199 MDL Number: MFCD00036558 InChI Key: KLTVSWGXIAYTHO-UHFFFAOYSA-N Synonym: 1-octen-3-one,vinyl amyl ketone,amyl vinyl ketone,pentyl vinyl ketone,unii-7lt7z4q9xr,1-octene-3-one,fema no. 3515,7lt7z4q9xr,n-pentyl vinyl ketone,octen-3-one, 1 PubChem CID: 61346 IUPAC Name: oct-1-en-3-one SMILES: CCCCCC(=O)C=C
| PubChem CID | 61346 |
|---|---|
| CAS | 4312-99-6 |
| Molecular Weight (g/mol) | 126.199 |
| MDL Number | MFCD00036558 |
| SMILES | CCCCCC(=O)C=C |
| Synonym | 1-octen-3-one,vinyl amyl ketone,amyl vinyl ketone,pentyl vinyl ketone,unii-7lt7z4q9xr,1-octene-3-one,fema no. 3515,7lt7z4q9xr,n-pentyl vinyl ketone,octen-3-one, 1 |
| IUPAC Name | oct-1-en-3-one |
| InChI Key | KLTVSWGXIAYTHO-UHFFFAOYSA-N |
| Molecular Formula | C8H14O |
1,1,1-Trifluoro-3-phenylacetone, 97%
CAS: 350-92-5 Molecular Formula: C9H7F3O Molecular Weight (g/mol): 188.149 MDL Number: MFCD00068171 InChI Key: IAJKTOIWQHTZOS-UHFFFAOYSA-N Synonym: 3-phenyl-1,1,1-trifluoropropan-2-one,1,1,1-trifluoro-3-phenylacetone,1,1,1-trifluoro-3-phenyl-2-propanone,1,1,1-trifluoro-3-phenyl-propan-2-one,2-propanone, 1,1,1-trifluoro-3-phenyl,acmc-20amz1,trifluoromethylbenzyl ketone,benzyl trifluoromethyl ketone,trifluoromethyl benzyl ketone,ksc227m3d PubChem CID: 222958 IUPAC Name: 1,1,1-trifluoro-3-phenylpropan-2-one SMILES: C1=CC=C(C=C1)CC(=O)C(F)(F)F
| PubChem CID | 222958 |
|---|---|
| CAS | 350-92-5 |
| Molecular Weight (g/mol) | 188.149 |
| MDL Number | MFCD00068171 |
| SMILES | C1=CC=C(C=C1)CC(=O)C(F)(F)F |
| Synonym | 3-phenyl-1,1,1-trifluoropropan-2-one,1,1,1-trifluoro-3-phenylacetone,1,1,1-trifluoro-3-phenyl-2-propanone,1,1,1-trifluoro-3-phenyl-propan-2-one,2-propanone, 1,1,1-trifluoro-3-phenyl,acmc-20amz1,trifluoromethylbenzyl ketone,benzyl trifluoromethyl ketone,trifluoromethyl benzyl ketone,ksc227m3d |
| IUPAC Name | 1,1,1-trifluoro-3-phenylpropan-2-one |
| InChI Key | IAJKTOIWQHTZOS-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O |
Malonic acid dihydrazide, 99%
CAS: 3815-86-9 Molecular Formula: C3H8N4O2 Molecular Weight (g/mol): 132.12 MDL Number: MFCD00041268 InChI Key: PSIKPHJLTVSQFO-UHFFFAOYSA-N Synonym: malonic acid dihydrazide,malonohydrazide,malonic dihydrazide,propanedioic acid, dihydrazide,malonhydrazide,malonyl dihydrazide,malonic acid, dihydrazide,malonyl hydrazide,malonic acid hydrazide,malonoyldihydrazine PubChem CID: 77433 IUPAC Name: propanedihydrazide SMILES: NNC(=O)CC(=O)NN
| PubChem CID | 77433 |
|---|---|
| CAS | 3815-86-9 |
| Molecular Weight (g/mol) | 132.12 |
| MDL Number | MFCD00041268 |
| SMILES | NNC(=O)CC(=O)NN |
| Synonym | malonic acid dihydrazide,malonohydrazide,malonic dihydrazide,propanedioic acid, dihydrazide,malonhydrazide,malonyl dihydrazide,malonic acid, dihydrazide,malonyl hydrazide,malonic acid hydrazide,malonoyldihydrazine |
| IUPAC Name | propanedihydrazide |
| InChI Key | PSIKPHJLTVSQFO-UHFFFAOYSA-N |
| Molecular Formula | C3H8N4O2 |
3-Carboxybenzaldehyde, 97%
CAS: 619-21-6 Molecular Formula: C8H6O3 Molecular Weight (g/mol): 150.133 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 |
|---|---|
| CAS | 619-21-6 |
| Molecular Weight (g/mol) | 150.133 |
| 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 |
| Molecular Formula | C8H6O3 |