Organooxygen compounds
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1,3,5-Cyclohexanetriol (cis- and trans- mixture) 95.0+%, TCI America™
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CAS: 2041-15-8 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 MDL Number: MFCD00043062,MFCD00070580 InChI Key: FSDSKERRNURGGO-UHFFFAOYSA-N PubChem CID: 230351 IUPAC Name: cyclohexane-1,3,5-triol SMILES: OC1CC(O)CC(O)C1
| PubChem CID | 230351 |
|---|---|
| CAS | 2041-15-8 |
| Molecular Weight (g/mol) | 132.16 |
| MDL Number | MFCD00043062,MFCD00070580 |
| SMILES | OC1CC(O)CC(O)C1 |
| IUPAC Name | cyclohexane-1,3,5-triol |
| InChI Key | FSDSKERRNURGGO-UHFFFAOYSA-N |
| Molecular Formula | C6H12O3 |
6-Hydroxy-3-coumaranone 97.0+%, TCI America™
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CAS: 6272-26-0 Molecular Formula: C8H6O3 Molecular Weight (g/mol): 150.13 MDL Number: MFCD00068174 InChI Key: GBDMODVZBPFQKI-UHFFFAOYSA-N Synonym: 6-hydroxybenzofuran-3 2h-one,6-hydroxy-2h-benzofuran-3-one,6-hydroxy-2,3-dihydrobenzo b furan-3-one,6-hydroxy-1-benzofuran-3 2h-one,6-hydroxybenzofuran-3-one,3 2h-benzofuranone, 6-hydroxy,6-hydroxy-3-coumaranone,6-hydroxy-2,3-dihydro-1-benzofuran-3-one,6-hydroxy-3 2h-benzofuranone,6-hydroxy-2h-1-benzofuran-3-one PubChem CID: 235717 IUPAC Name: 6-hydroxy-2,3-dihydro-1-benzofuran-3-one SMILES: OC1=CC=C2C(=O)COC2=C1
| PubChem CID | 235717 |
|---|---|
| CAS | 6272-26-0 |
| Molecular Weight (g/mol) | 150.13 |
| MDL Number | MFCD00068174 |
| SMILES | OC1=CC=C2C(=O)COC2=C1 |
| Synonym | 6-hydroxybenzofuran-3 2h-one,6-hydroxy-2h-benzofuran-3-one,6-hydroxy-2,3-dihydrobenzo b furan-3-one,6-hydroxy-1-benzofuran-3 2h-one,6-hydroxybenzofuran-3-one,3 2h-benzofuranone, 6-hydroxy,6-hydroxy-3-coumaranone,6-hydroxy-2,3-dihydro-1-benzofuran-3-one,6-hydroxy-3 2h-benzofuranone,6-hydroxy-2h-1-benzofuran-3-one |
| IUPAC Name | 6-hydroxy-2,3-dihydro-1-benzofuran-3-one |
| InChI Key | GBDMODVZBPFQKI-UHFFFAOYSA-N |
| Molecular Formula | C8H6O3 |
1-Phenylcyclohexanol 98.0+%, TCI America™
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CAS: 1589-60-2 Molecular Formula: C12H16O Molecular Weight (g/mol): 176.259 MDL Number: MFCD00021393 InChI Key: DTTDXHDYTWQDCS-UHFFFAOYSA-N Synonym: 1-phenylcyclohexanol,cyclohexanol, 1-phenyl,1-phenyl-1-cyclohexanol,phenylcyclohexanol,cyclohexanol, phenyl,1-phenylcyclohexanol-1,1-phenyl-cyclohexanol,maybridge1_002485,1-phenyl-cyclohexan-1-ol,acmc-209dj8 PubChem CID: 15319 IUPAC Name: 1-phenylcyclohexan-1-ol SMILES: C1CCC(CC1)(C2=CC=CC=C2)O
| PubChem CID | 15319 |
|---|---|
| CAS | 1589-60-2 |
| Molecular Weight (g/mol) | 176.259 |
| MDL Number | MFCD00021393 |
| SMILES | C1CCC(CC1)(C2=CC=CC=C2)O |
| Synonym | 1-phenylcyclohexanol,cyclohexanol, 1-phenyl,1-phenyl-1-cyclohexanol,phenylcyclohexanol,cyclohexanol, phenyl,1-phenylcyclohexanol-1,1-phenyl-cyclohexanol,maybridge1_002485,1-phenyl-cyclohexan-1-ol,acmc-209dj8 |
| IUPAC Name | 1-phenylcyclohexan-1-ol |
| InChI Key | DTTDXHDYTWQDCS-UHFFFAOYSA-N |
| Molecular Formula | C12H16O |
2-Methoxy-1-naphthaldehyde 98.0+%, TCI America™
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CAS: 5392-12-1 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00004004 InChI Key: YIQGLTKAOHRZOL-UHFFFAOYSA-N Synonym: 2-methoxy-1-naphthaldehyde,1-naphthalenecarboxaldehyde, 2-methoxy,2-methoxy-1-naphthalenecarboxaldehyde,unii-7q7tx7tb9e,7q7tx7tb9e,2-methoxy-1-naphthylaldehyde,2-methoxy-naphthalene-1-carbaldehyde,2-methoxynaphthalenecarbaldehyde,2-methoxy-1-naphthaldehyd,2-methoxynaphthaldehyde PubChem CID: 79352 IUPAC Name: 2-methoxynaphthalene-1-carbaldehyde SMILES: COC1=C(C2=CC=CC=C2C=C1)C=O
| PubChem CID | 79352 |
|---|---|
| CAS | 5392-12-1 |
| Molecular Weight (g/mol) | 186.21 |
| MDL Number | MFCD00004004 |
| SMILES | COC1=C(C2=CC=CC=C2C=C1)C=O |
| Synonym | 2-methoxy-1-naphthaldehyde,1-naphthalenecarboxaldehyde, 2-methoxy,2-methoxy-1-naphthalenecarboxaldehyde,unii-7q7tx7tb9e,7q7tx7tb9e,2-methoxy-1-naphthylaldehyde,2-methoxy-naphthalene-1-carbaldehyde,2-methoxynaphthalenecarbaldehyde,2-methoxy-1-naphthaldehyd,2-methoxynaphthaldehyde |
| IUPAC Name | 2-methoxynaphthalene-1-carbaldehyde |
| InChI Key | YIQGLTKAOHRZOL-UHFFFAOYSA-N |
| Molecular Formula | C12H10O2 |
Ethyl 4,4-Dimethyl-3-oxovalerate 98.0+%, TCI America™
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CAS: 17094-34-7 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.22 MDL Number: MFCD00042886 InChI Key: VUYNTIDSHCJIKF-UHFFFAOYSA-N Synonym: ethyl pivaloylacetate,ethyl 4,4,4-trimethylacetoacetate,ethyl 4,4-dimethyl-3-oxovalerate,4,4-dimethyl-3-oxovaleric acid ethyl ester,pivaloylacetic acid ethyl ester,ethyl 4,4-dimethyl-3-oxo-pentanoate,pentanoic acid, 4,4-dimethyl-3-oxo-, ethyl ester,4,4-dimethyl-3-oxo-pentanoic acid ethyl ester,ethylpivaloylacetate,pubchem19816 PubChem CID: 86950 IUPAC Name: ethyl 4,4-dimethyl-3-oxopentanoate SMILES: CCOC(=O)CC(=O)C(C)(C)C
| PubChem CID | 86950 |
|---|---|
| CAS | 17094-34-7 |
| Molecular Weight (g/mol) | 172.22 |
| MDL Number | MFCD00042886 |
| SMILES | CCOC(=O)CC(=O)C(C)(C)C |
| Synonym | ethyl pivaloylacetate,ethyl 4,4,4-trimethylacetoacetate,ethyl 4,4-dimethyl-3-oxovalerate,4,4-dimethyl-3-oxovaleric acid ethyl ester,pivaloylacetic acid ethyl ester,ethyl 4,4-dimethyl-3-oxo-pentanoate,pentanoic acid, 4,4-dimethyl-3-oxo-, ethyl ester,4,4-dimethyl-3-oxo-pentanoic acid ethyl ester,ethylpivaloylacetate,pubchem19816 |
| IUPAC Name | ethyl 4,4-dimethyl-3-oxopentanoate |
| InChI Key | VUYNTIDSHCJIKF-UHFFFAOYSA-N |
| Molecular Formula | C9H16O3 |
Diethylene Glycol Monohexyl Ether 98.0+%, TCI America™
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CAS: 112-59-4 Molecular Formula: C10H22O3 Molecular Weight (g/mol): 190.28 MDL Number: MFCD00010703 InChI Key: GZMAAYIALGURDQ-UHFFFAOYSA-N Synonym: diethylene glycol monohexyl ether,2-2-hexyloxyethoxy ethanol,hexol carbitol,hexyl carbitol,n-hexyl carbitol,n-hexoxyethoxyethanol,3,6-dioxadodecanol-1,ethanol, 2-2-hexyloxy ethoxy,hexyldiglycol,hexylkarbitol PubChem CID: 8199 IUPAC Name: 2-[2-(hexyloxy)ethoxy]ethan-1-ol SMILES: CCCCCCOCCOCCO
| PubChem CID | 8199 |
|---|---|
| CAS | 112-59-4 |
| Molecular Weight (g/mol) | 190.28 |
| MDL Number | MFCD00010703 |
| SMILES | CCCCCCOCCOCCO |
| Synonym | diethylene glycol monohexyl ether,2-2-hexyloxyethoxy ethanol,hexol carbitol,hexyl carbitol,n-hexyl carbitol,n-hexoxyethoxyethanol,3,6-dioxadodecanol-1,ethanol, 2-2-hexyloxy ethoxy,hexyldiglycol,hexylkarbitol |
| IUPAC Name | 2-[2-(hexyloxy)ethoxy]ethan-1-ol |
| InChI Key | GZMAAYIALGURDQ-UHFFFAOYSA-N |
| Molecular Formula | C10H22O3 |
Dimethyl Methoxymalonate 95.0+%, TCI America™
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CAS: 5018-30-4 Molecular Formula: C6H10O5 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00009847 InChI Key: ORXJMBXYSGGCHG-UHFFFAOYSA-N Synonym: Methoxymalonic Acid Dimethyl Ester PubChem CID: 78718 IUPAC Name: 1,3-dimethyl 2-methoxypropanedioate SMILES: COC(C(=O)OC)C(=O)OC
| PubChem CID | 78718 |
|---|---|
| CAS | 5018-30-4 |
| Molecular Weight (g/mol) | 162.14 |
| MDL Number | MFCD00009847 |
| SMILES | COC(C(=O)OC)C(=O)OC |
| Synonym | Methoxymalonic Acid Dimethyl Ester |
| IUPAC Name | 1,3-dimethyl 2-methoxypropanedioate |
| InChI Key | ORXJMBXYSGGCHG-UHFFFAOYSA-N |
| Molecular Formula | C6H10O5 |
Bis(2-chloroethyl) Ether 99.0+%, TCI America™
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CAS: 111-44-4 Molecular Formula: C4H8Cl2O Molecular Weight (g/mol): 143.01 MDL Number: MFCD00000975 InChI Key: ZNSMNVMLTJELDZ-UHFFFAOYSA-N Synonym: 2-chloroethyl ether,2,2'-dichlorodiethyl ether,bis 2-chloroethyl ether,chlorex,chloroethyl ether,dcee,dichloroether,khloreks,dichloroethyl ether PubChem CID: 8115 ChEBI: CHEBI:34573 IUPAC Name: 1-chloro-2-(2-chloroethoxy)ethane SMILES: ClCCOCCCl
| PubChem CID | 8115 |
|---|---|
| CAS | 111-44-4 |
| Molecular Weight (g/mol) | 143.01 |
| ChEBI | CHEBI:34573 |
| MDL Number | MFCD00000975 |
| SMILES | ClCCOCCCl |
| Synonym | 2-chloroethyl ether,2,2'-dichlorodiethyl ether,bis 2-chloroethyl ether,chlorex,chloroethyl ether,dcee,dichloroether,khloreks,dichloroethyl ether |
| IUPAC Name | 1-chloro-2-(2-chloroethoxy)ethane |
| InChI Key | ZNSMNVMLTJELDZ-UHFFFAOYSA-N |
| Molecular Formula | C4H8Cl2O |
4-Methyl-2-phenyl-1,3-dioxolane (mixture of isomers) 98.0+%, TCI America™
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CAS: 2568-25-4 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00059732 InChI Key: CDIKGISJRLTLRA-UHFFFAOYSA-N Synonym: benzaldehyde propylene glycol acetal,1,3-dioxolane, 4-methyl-2-phenyl,4-methyl-2-phenyl-m-dioxolane,benzaldehyde propylene glycolacetal,benzaldehyde propyleneglycol acetal,benzaldehyde propylene acetal,4-methyl-2-phenyl-1.3-dioxolane,4-methyl-2-phenyl-1,3 dioxolane,#,benzaldehydepropyleneglycolacetal PubChem CID: 595928 IUPAC Name: 4-methyl-2-phenyl-1,3-dioxolane SMILES: CC1COC(O1)C2=CC=CC=C2
| PubChem CID | 595928 |
|---|---|
| CAS | 2568-25-4 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00059732 |
| SMILES | CC1COC(O1)C2=CC=CC=C2 |
| Synonym | benzaldehyde propylene glycol acetal,1,3-dioxolane, 4-methyl-2-phenyl,4-methyl-2-phenyl-m-dioxolane,benzaldehyde propylene glycolacetal,benzaldehyde propyleneglycol acetal,benzaldehyde propylene acetal,4-methyl-2-phenyl-1.3-dioxolane,4-methyl-2-phenyl-1,3 dioxolane,#,benzaldehydepropyleneglycolacetal |
| IUPAC Name | 4-methyl-2-phenyl-1,3-dioxolane |
| InChI Key | CDIKGISJRLTLRA-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
3-Methoxypropionitrile 99.0+%, TCI America™
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CAS: 110-67-8 Molecular Formula: C4H7NO Molecular Weight (g/mol): 85.106 MDL Number: MFCD00001958 InChI Key: OOWFYDWAMOKVSF-UHFFFAOYSA-N Synonym: 3-methoxypropionitrile,propanenitrile, 3-methoxy,2-cyanoethyl methyl ether,3-methoxypropylnitrile,beta-methoxypropionitrile,1-cyano-2-methoxyethane,propionitrile, 3-methoxy,3-methoxypropannitril,3-methoxypropiononitrile,beta-methyoxypropionitrile PubChem CID: 61032 IUPAC Name: 3-methoxypropanenitrile SMILES: COCCC#N
| PubChem CID | 61032 |
|---|---|
| CAS | 110-67-8 |
| Molecular Weight (g/mol) | 85.106 |
| MDL Number | MFCD00001958 |
| SMILES | COCCC#N |
| Synonym | 3-methoxypropionitrile,propanenitrile, 3-methoxy,2-cyanoethyl methyl ether,3-methoxypropylnitrile,beta-methoxypropionitrile,1-cyano-2-methoxyethane,propionitrile, 3-methoxy,3-methoxypropannitril,3-methoxypropiononitrile,beta-methyoxypropionitrile |
| IUPAC Name | 3-methoxypropanenitrile |
| InChI Key | OOWFYDWAMOKVSF-UHFFFAOYSA-N |
| Molecular Formula | C4H7NO |
2-Phenyl-1,3-propanediol 98.0+%, TCI America™
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CAS: 1570-95-2 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.193 MDL Number: MFCD00236056 InChI Key: BPBDZXFJDMJLIB-UHFFFAOYSA-N Synonym: 2-phenyl-1,3-propanediol,2-phenyl-1,3-propanediole,2-phenyl-propane-1,3-diol,2-phenyl-1,3-propane diol,unii-9f93674jbb,1,3-propanediol, 2-phenyl,phenylpropanediol,pubchem20386,rarechem al bd 1370,acmc-1bz5a PubChem CID: 254178 IUPAC Name: 2-phenylpropane-1,3-diol SMILES: C1=CC=C(C=C1)C(CO)CO
| PubChem CID | 254178 |
|---|---|
| CAS | 1570-95-2 |
| Molecular Weight (g/mol) | 152.193 |
| MDL Number | MFCD00236056 |
| SMILES | C1=CC=C(C=C1)C(CO)CO |
| Synonym | 2-phenyl-1,3-propanediol,2-phenyl-1,3-propanediole,2-phenyl-propane-1,3-diol,2-phenyl-1,3-propane diol,unii-9f93674jbb,1,3-propanediol, 2-phenyl,phenylpropanediol,pubchem20386,rarechem al bd 1370,acmc-1bz5a |
| IUPAC Name | 2-phenylpropane-1,3-diol |
| InChI Key | BPBDZXFJDMJLIB-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
3-Methyl-1-penten-4-yn-3-ol 98.0+%, TCI America™
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CAS: 3230-69-1 Molecular Formula: C6H8O Molecular Weight (g/mol): 96.13 MDL Number: MFCD01709006 InChI Key: VBATUBQIYXCZPA-UHFFFAOYNA-N Synonym: 3-methyl-1-penten-4-yn-3-ol,1-penten-4-yn-3-ol, 3-methyl,ethynyl methyl vinyl carbinol,3-methyl-pent-4-en-1-yn-3-ol,3-methyl pent-4-en-l-yn-3-0l,acmc-209hsd,4-01-00-02309 beilstein handbook reference,ksc496k7h,wln: 1uu1xq1&1u1,3-methyl-4-penten-1-yn-3-ol PubChem CID: 97815 IUPAC Name: 3-methylpent-1-en-4-yn-3-ol SMILES: CC(O)(C=C)C#C
| PubChem CID | 97815 |
|---|---|
| CAS | 3230-69-1 |
| Molecular Weight (g/mol) | 96.13 |
| MDL Number | MFCD01709006 |
| SMILES | CC(O)(C=C)C#C |
| Synonym | 3-methyl-1-penten-4-yn-3-ol,1-penten-4-yn-3-ol, 3-methyl,ethynyl methyl vinyl carbinol,3-methyl-pent-4-en-1-yn-3-ol,3-methyl pent-4-en-l-yn-3-0l,acmc-209hsd,4-01-00-02309 beilstein handbook reference,ksc496k7h,wln: 1uu1xq1&1u1,3-methyl-4-penten-1-yn-3-ol |
| IUPAC Name | 3-methylpent-1-en-4-yn-3-ol |
| InChI Key | VBATUBQIYXCZPA-UHFFFAOYNA-N |
| Molecular Formula | C6H8O |
Hexafluoroacetylacetone 95.0+%, TCI America™
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CAS: 1522-22-1 Molecular Formula: C5H2F6O2 Molecular Weight (g/mol): 208.059 MDL Number: MFCD00000426 InChI Key: QAMFBRUWYYMMGJ-UHFFFAOYSA-N Synonym: hexafluoroacetylacetone,1,1,1,5,5,5-hexafluoroacetylacetone,1,1,1,5,5,5-hexafluoro-2,4-pentanedione,2,4-pentanedione, 1,1,1,5,5,5-hexafluoro,hexafluoro-2,4-pentanedione,hfac,1,1,1,5,5,5-hexafluoro-2,4-pentadione,1,3-bis trifluoromethyl propane-1,3-dione,1,1,1-trifluoro-3-trifluoroacetyl acetone,2,4-dioxo-1,1,1,5,5,5-hexafluoropentane PubChem CID: 73706 IUPAC Name: 1,1,1,5,5,5-hexafluoropentane-2,4-dione SMILES: C(C(=O)C(F)(F)F)C(=O)C(F)(F)F
| PubChem CID | 73706 |
|---|---|
| CAS | 1522-22-1 |
| Molecular Weight (g/mol) | 208.059 |
| MDL Number | MFCD00000426 |
| SMILES | C(C(=O)C(F)(F)F)C(=O)C(F)(F)F |
| Synonym | hexafluoroacetylacetone,1,1,1,5,5,5-hexafluoroacetylacetone,1,1,1,5,5,5-hexafluoro-2,4-pentanedione,2,4-pentanedione, 1,1,1,5,5,5-hexafluoro,hexafluoro-2,4-pentanedione,hfac,1,1,1,5,5,5-hexafluoro-2,4-pentadione,1,3-bis trifluoromethyl propane-1,3-dione,1,1,1-trifluoro-3-trifluoroacetyl acetone,2,4-dioxo-1,1,1,5,5,5-hexafluoropentane |
| IUPAC Name | 1,1,1,5,5,5-hexafluoropentane-2,4-dione |
| InChI Key | QAMFBRUWYYMMGJ-UHFFFAOYSA-N |
| Molecular Formula | C5H2F6O2 |
2-Hydroxyethyl Methyl Sulfone 98.0+%, TCI America™
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CAS: 15205-66-0 Molecular Formula: C3H8O3S Molecular Weight (g/mol): 124.154 MDL Number: MFCD00014747 InChI Key: KFTYFTKODBWKOU-UHFFFAOYSA-N Synonym: 2-methylsulfonyl ethanol,2-hydroxyethyl methyl sulfone,2-methanesulfonylethanol,2-methanesulfonylethan-1-ol,2-methanesulfonyl-ethanol,2-methanesulfonyl ethanol,ethanol, 2-methylsulfonyl,unii-5fi8eb2k0l,2-methylsulphonyl ethanol,2-methylsulfonyl ethyl alcohol PubChem CID: 84834 IUPAC Name: 2-methylsulfonylethanol SMILES: CS(=O)(=O)CCO
| PubChem CID | 84834 |
|---|---|
| CAS | 15205-66-0 |
| Molecular Weight (g/mol) | 124.154 |
| MDL Number | MFCD00014747 |
| SMILES | CS(=O)(=O)CCO |
| Synonym | 2-methylsulfonyl ethanol,2-hydroxyethyl methyl sulfone,2-methanesulfonylethanol,2-methanesulfonylethan-1-ol,2-methanesulfonyl-ethanol,2-methanesulfonyl ethanol,ethanol, 2-methylsulfonyl,unii-5fi8eb2k0l,2-methylsulphonyl ethanol,2-methylsulfonyl ethyl alcohol |
| IUPAC Name | 2-methylsulfonylethanol |
| InChI Key | KFTYFTKODBWKOU-UHFFFAOYSA-N |
| Molecular Formula | C3H8O3S |
6-Quinolinecarboxaldehyde 98.0+%, TCI America™
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CAS: 4113-04-6 Molecular Formula: C10H7NO Molecular Weight (g/mol): 157.17 MDL Number: MFCD00805836 InChI Key: VUAOIXANWIFYCU-UHFFFAOYSA-N Synonym: 6-Formylquinoline PubChem CID: 765653 IUPAC Name: quinoline-6-carbaldehyde SMILES: C1=CC2=C(C=CC(=C2)C=O)N=C1
| PubChem CID | 765653 |
|---|---|
| CAS | 4113-04-6 |
| Molecular Weight (g/mol) | 157.17 |
| MDL Number | MFCD00805836 |
| SMILES | C1=CC2=C(C=CC(=C2)C=O)N=C1 |
| Synonym | 6-Formylquinoline |
| IUPAC Name | quinoline-6-carbaldehyde |
| InChI Key | VUAOIXANWIFYCU-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO |