Organooxygen compounds
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3'-Nitropropiophenone 98.0+%, TCI America™
CAS: 17408-16-1 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.175 MDL Number: MFCD00051516 InChI Key: VSPOTMOYDHRALZ-UHFFFAOYSA-N Synonym: 3'-nitropropiophenone,1-3-nitrophenyl propan-1-one,m-nitropropiophenone,3-nitrophenyl ethyl ketone,1-propanone, 1-3-nitrophenyl,m-nitropropio-phenone,3;-nitropropiophenone,acmc-209e7u,3-nitropropiophenone,1-3-nitrophenyl propan-l-one PubChem CID: 87096 IUPAC Name: 1-(3-nitrophenyl)propan-1-one SMILES: CCC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
| PubChem CID | 87096 |
|---|---|
| CAS | 17408-16-1 |
| Molecular Weight (g/mol) | 179.175 |
| MDL Number | MFCD00051516 |
| SMILES | CCC(=O)C1=CC(=CC=C1)[N+](=O)[O-] |
| Synonym | 3'-nitropropiophenone,1-3-nitrophenyl propan-1-one,m-nitropropiophenone,3-nitrophenyl ethyl ketone,1-propanone, 1-3-nitrophenyl,m-nitropropio-phenone,3;-nitropropiophenone,acmc-209e7u,3-nitropropiophenone,1-3-nitrophenyl propan-l-one |
| IUPAC Name | 1-(3-nitrophenyl)propan-1-one |
| InChI Key | VSPOTMOYDHRALZ-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO3 |
3,4'-Dichloropropiophenone 98.0+%, TCI America™
CAS: 3946-29-0 Molecular Formula: C9H8Cl2O Molecular Weight (g/mol): 203.06 MDL Number: MFCD00000992 InChI Key: AYFJBHFMQODYBC-UHFFFAOYSA-N Synonym: 3,4'-dichloropropiophenone,3-chloro-1-4-chlorophenyl propan-1-one,1-propanone, 3-chloro-1-4-chlorophenyl,2-chloroethyl-4-chlorophenylketone,pubchem13270,acmc-209j5n,beta,4-dichloropropiophenone,4',beta-dichloropropiophenone,3-chloro-4'-chloropropiophenone,attercop-chm at130375 PubChem CID: 77550 IUPAC Name: 3-chloro-1-(4-chlorophenyl)propan-1-one SMILES: ClCCC(=O)C1=CC=C(Cl)C=C1
| PubChem CID | 77550 |
|---|---|
| CAS | 3946-29-0 |
| Molecular Weight (g/mol) | 203.06 |
| MDL Number | MFCD00000992 |
| SMILES | ClCCC(=O)C1=CC=C(Cl)C=C1 |
| Synonym | 3,4'-dichloropropiophenone,3-chloro-1-4-chlorophenyl propan-1-one,1-propanone, 3-chloro-1-4-chlorophenyl,2-chloroethyl-4-chlorophenylketone,pubchem13270,acmc-209j5n,beta,4-dichloropropiophenone,4',beta-dichloropropiophenone,3-chloro-4'-chloropropiophenone,attercop-chm at130375 |
| IUPAC Name | 3-chloro-1-(4-chlorophenyl)propan-1-one |
| InChI Key | AYFJBHFMQODYBC-UHFFFAOYSA-N |
| Molecular Formula | C9H8Cl2O |
2,4-Dichlorobenzaldehyde 95.0+%, TCI America™
CAS: 874-42-0 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.008 MDL Number: MFCD00003305 InChI Key: YSFBEAASFUWWHU-UHFFFAOYSA-N Synonym: benzaldehyde, 2,4-dichloro,unii-z08ql2124r,ccris 6013,2,4-dichloro benzaldehyde,2,4-dichloro-benzaldehyde,acmc-209qnb,dsstox_cid_2130,2,4 dichloro benzaldehyde,2,4-di-chlorobenzaldehyde,dsstox_rid_76500 PubChem CID: 13404 IUPAC Name: 2,4-dichlorobenzaldehyde SMILES: C1=CC(=C(C=C1Cl)Cl)C=O
| PubChem CID | 13404 |
|---|---|
| CAS | 874-42-0 |
| Molecular Weight (g/mol) | 175.008 |
| MDL Number | MFCD00003305 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)C=O |
| Synonym | benzaldehyde, 2,4-dichloro,unii-z08ql2124r,ccris 6013,2,4-dichloro benzaldehyde,2,4-dichloro-benzaldehyde,acmc-209qnb,dsstox_cid_2130,2,4 dichloro benzaldehyde,2,4-di-chlorobenzaldehyde,dsstox_rid_76500 |
| IUPAC Name | 2,4-dichlorobenzaldehyde |
| InChI Key | YSFBEAASFUWWHU-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O |
3,5-Dichlorosalicylaldehyde 98.0+%, TCI America™
CAS: 90-60-8 Molecular Formula: C7H4Cl2O2 Molecular Weight (g/mol): 191.007 MDL Number: MFCD00003320 InChI Key: FABVMBDCVAJXMB-UHFFFAOYSA-N Synonym: 3,5-dichlorosalicylaldehyde,benzaldehyde, 3,5-dichloro-2-hydroxy,2-hydroxy-3,5-dichlorobenzaldehyde,3,5-dichloro salicylal,salicylaldehyde, 3,5-dichloro,3,5-dichloro-2-hydroxy-benzaldehyde,pubchem8246,timtec-bb sbb003642,acmc-209r6w,salicylaldehyde,5-dichloro PubChem CID: 66660 IUPAC Name: 3,5-dichloro-2-hydroxybenzaldehyde SMILES: C1=C(C=C(C(=C1Cl)O)C=O)Cl
| PubChem CID | 66660 |
|---|---|
| CAS | 90-60-8 |
| Molecular Weight (g/mol) | 191.007 |
| MDL Number | MFCD00003320 |
| SMILES | C1=C(C=C(C(=C1Cl)O)C=O)Cl |
| Synonym | 3,5-dichlorosalicylaldehyde,benzaldehyde, 3,5-dichloro-2-hydroxy,2-hydroxy-3,5-dichlorobenzaldehyde,3,5-dichloro salicylal,salicylaldehyde, 3,5-dichloro,3,5-dichloro-2-hydroxy-benzaldehyde,pubchem8246,timtec-bb sbb003642,acmc-209r6w,salicylaldehyde,5-dichloro |
| IUPAC Name | 3,5-dichloro-2-hydroxybenzaldehyde |
| InChI Key | FABVMBDCVAJXMB-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O2 |
4'-Heptylacetophenone 96.0+%, TCI America™
CAS: 37593-03-6 Molecular Formula: C15H22O Molecular Weight (g/mol): 218.34 MDL Number: MFCD00038342 InChI Key: UQBRZOXCKKBKDU-UHFFFAOYSA-N Synonym: 4'-heptylacetophenone,p-heptylacetophenone,ethanone, 1-4-heptylphenyl,p-n-heptylacetophenone,1-4-heptylphenyl ethanone,1-4-heptylphenyl ethan-1-one,4'-n-heptylacetophenone,4-heptylacetophenone,1-acetyl-4-heptylbenzene,acmc-209iu8 PubChem CID: 98879 IUPAC Name: 1-(4-heptylphenyl)ethanone SMILES: CCCCCCCC1=CC=C(C=C1)C(=O)C
| PubChem CID | 98879 |
|---|---|
| CAS | 37593-03-6 |
| Molecular Weight (g/mol) | 218.34 |
| MDL Number | MFCD00038342 |
| SMILES | CCCCCCCC1=CC=C(C=C1)C(=O)C |
| Synonym | 4'-heptylacetophenone,p-heptylacetophenone,ethanone, 1-4-heptylphenyl,p-n-heptylacetophenone,1-4-heptylphenyl ethanone,1-4-heptylphenyl ethan-1-one,4'-n-heptylacetophenone,4-heptylacetophenone,1-acetyl-4-heptylbenzene,acmc-209iu8 |
| IUPAC Name | 1-(4-heptylphenyl)ethanone |
| InChI Key | UQBRZOXCKKBKDU-UHFFFAOYSA-N |
| Molecular Formula | C15H22O |
5,6-Dimethoxy-1-indanone 98.0+%, TCI America™
CAS: 2107-69-9 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 InChI Key: IHMQOBPGHZFGLC-UHFFFAOYSA-N Synonym: 5,6-dimethoxy-1-indanone,5,6-dimethoxy-2,3-dihydro-1h-inden-1-one,5,6-dimethoxyindan-1-one,5,6-dimethoxy-indan-1-one,1h-inden-1-one, 2,3-dihydro-5,6-dimethoxy,5,6-dimethoxyindanone,unii-f805rzi8go,f805rzi8go,1-indanone, 5,6-dimethoxy,5,6-dimethoxyindan-1-on PubChem CID: 75018 IUPAC Name: 5,6-dimethoxy-2,3-dihydroinden-1-one SMILES: COC1=C(C=C2C(=C1)CCC2=O)OC
| PubChem CID | 75018 |
|---|---|
| CAS | 2107-69-9 |
| Molecular Weight (g/mol) | 192.214 |
| SMILES | COC1=C(C=C2C(=C1)CCC2=O)OC |
| Synonym | 5,6-dimethoxy-1-indanone,5,6-dimethoxy-2,3-dihydro-1h-inden-1-one,5,6-dimethoxyindan-1-one,5,6-dimethoxy-indan-1-one,1h-inden-1-one, 2,3-dihydro-5,6-dimethoxy,5,6-dimethoxyindanone,unii-f805rzi8go,f805rzi8go,1-indanone, 5,6-dimethoxy,5,6-dimethoxyindan-1-on |
| IUPAC Name | 5,6-dimethoxy-2,3-dihydroinden-1-one |
| InChI Key | IHMQOBPGHZFGLC-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
3-Methoxybutyl Thioglycolate 97.0+%, TCI America™
CAS: 27431-39-6 Molecular Formula: C7H14O3S Molecular Weight (g/mol): 178.246 MDL Number: MFCD04038084 InChI Key: FVOSQWCSFOEXOP-UHFFFAOYSA-N Synonym: Thioglycolic Acid 3-Methoxybutyl Ester, 3-Methoxybutyl Mercaptoacetate, Mercaptoacetic Acid 3-Methoxybutyl Ester PubChem CID: 11998744 IUPAC Name: 3-methoxybutyl 2-sulfanylacetate SMILES: CC(CCOC(=O)CS)OC
| PubChem CID | 11998744 |
|---|---|
| CAS | 27431-39-6 |
| Molecular Weight (g/mol) | 178.246 |
| MDL Number | MFCD04038084 |
| SMILES | CC(CCOC(=O)CS)OC |
| Synonym | Thioglycolic Acid 3-Methoxybutyl Ester, 3-Methoxybutyl Mercaptoacetate, Mercaptoacetic Acid 3-Methoxybutyl Ester |
| IUPAC Name | 3-methoxybutyl 2-sulfanylacetate |
| InChI Key | FVOSQWCSFOEXOP-UHFFFAOYSA-N |
| Molecular Formula | C7H14O3S |
2,3-Dichlorobenzaldehyde 98.0+%, TCI America™
CAS: 6334-18-5 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.01 MDL Number: MFCD00010127 InChI Key: LLMLNAVBOAMOEE-UHFFFAOYSA-N Synonym: benzaldehyde, 2,3-dichloro,dichlorobenzaldehyde,benzaldehyde, dichloro,ccris 8612,dichlorbenzaldehyd,pubchem3079,2,3-dichlorobenzaldehyd,benzaldehyde,3-dichloro,2,3-dichloro-benzaldehyde,acmc-209nf0 PubChem CID: 35745 IUPAC Name: 2,3-dichlorobenzaldehyde SMILES: ClC1=CC=CC(C=O)=C1Cl
| PubChem CID | 35745 |
|---|---|
| CAS | 6334-18-5 |
| Molecular Weight (g/mol) | 175.01 |
| MDL Number | MFCD00010127 |
| SMILES | ClC1=CC=CC(C=O)=C1Cl |
| Synonym | benzaldehyde, 2,3-dichloro,dichlorobenzaldehyde,benzaldehyde, dichloro,ccris 8612,dichlorbenzaldehyd,pubchem3079,2,3-dichlorobenzaldehyd,benzaldehyde,3-dichloro,2,3-dichloro-benzaldehyde,acmc-209nf0 |
| IUPAC Name | 2,3-dichlorobenzaldehyde |
| InChI Key | LLMLNAVBOAMOEE-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O |
3-Mercapto-3-methyl-1-butanol 98.0+%, TCI America™
CAS: 34300-94-2 Molecular Formula: C5H12OS Molecular Weight (g/mol): 120.21 MDL Number: MFCD00101881 InChI Key: GBCGIJAYTBMFHI-UHFFFAOYSA-N PubChem CID: 520682 IUPAC Name: 3-methyl-3-sulfanylbutan-1-ol SMILES: CC(C)(S)CCO
| PubChem CID | 520682 |
|---|---|
| CAS | 34300-94-2 |
| Molecular Weight (g/mol) | 120.21 |
| MDL Number | MFCD00101881 |
| SMILES | CC(C)(S)CCO |
| IUPAC Name | 3-methyl-3-sulfanylbutan-1-ol |
| InChI Key | GBCGIJAYTBMFHI-UHFFFAOYSA-N |
| Molecular Formula | C5H12OS |
6-Methoxy-2-naphthaldehyde 97.0+%, TCI America™
CAS: 3453-33-6 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00081152 InChI Key: VZBLASFLFFMMCM-UHFFFAOYSA-N Synonym: 6-methoxy-2-naphthaldehyde,6-methoxy-2-naphthalaldehyde,unii-9244l5l5zy,6-methoxy-naphthalene-2-carbaldehyde,2-naphthalenecarboxaldehyde, 6-methoxy,pubchem13704,acmc-1ah4r,6-methoxy-2-napthaldehyde,dsstox_cid_31510,dsstox_rid_97395 PubChem CID: 76991 IUPAC Name: 6-methoxynaphthalene-2-carbaldehyde SMILES: COC1=CC=C2C=C(C=O)C=CC2=C1
| PubChem CID | 76991 |
|---|---|
| CAS | 3453-33-6 |
| Molecular Weight (g/mol) | 186.21 |
| MDL Number | MFCD00081152 |
| SMILES | COC1=CC=C2C=C(C=O)C=CC2=C1 |
| Synonym | 6-methoxy-2-naphthaldehyde,6-methoxy-2-naphthalaldehyde,unii-9244l5l5zy,6-methoxy-naphthalene-2-carbaldehyde,2-naphthalenecarboxaldehyde, 6-methoxy,pubchem13704,acmc-1ah4r,6-methoxy-2-napthaldehyde,dsstox_cid_31510,dsstox_rid_97395 |
| IUPAC Name | 6-methoxynaphthalene-2-carbaldehyde |
| InChI Key | VZBLASFLFFMMCM-UHFFFAOYSA-N |
| Molecular Formula | C12H10O2 |
3-Pyridinemethanol 98.0+%, TCI America™
CAS: 100-55-0 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.13 MDL Number: MFCD00006407 InChI Key: MVQVNTPHUGQQHK-UHFFFAOYSA-N Synonym: 3-pyridinemethanol,nicotinyl alcohol,3-hydroxymethyl pyridine,3-pyridylmethanol,nicotinic alcohol,3-pyridylcarbinol,roniacol,pyridylcarbinol,3-pyridinylmethanol,pyridine-3-carbinol PubChem CID: 7510 IUPAC Name: (pyridin-3-yl)methanol SMILES: OCC1=CC=CN=C1
| PubChem CID | 7510 |
|---|---|
| CAS | 100-55-0 |
| Molecular Weight (g/mol) | 109.13 |
| MDL Number | MFCD00006407 |
| SMILES | OCC1=CC=CN=C1 |
| Synonym | 3-pyridinemethanol,nicotinyl alcohol,3-hydroxymethyl pyridine,3-pyridylmethanol,nicotinic alcohol,3-pyridylcarbinol,roniacol,pyridylcarbinol,3-pyridinylmethanol,pyridine-3-carbinol |
| IUPAC Name | (pyridin-3-yl)methanol |
| InChI Key | MVQVNTPHUGQQHK-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO |
2,6-Pyridinedicarboxaldehyde 98.0+%, TCI America™
CAS: 5431-44-7 Molecular Formula: C7H5NO2 Molecular Weight (g/mol): 135.122 MDL Number: MFCD00010103 InChI Key: PMWXGSWIOOVHEQ-UHFFFAOYSA-N Synonym: 2,6-pyridinedicarboxaldehyde,2,6-diformylpyridine,2,6-pyridine dialdehyde,2,6-pyridinedicarbaldehyde,pubchem22285,acmc-1ap0d,pyda72,2,6-pyridinedicarboxadehyde,2,6-pyridine dicarboxaldehyde,2,6-pyridinedicarbaldehyde # PubChem CID: 79485 IUPAC Name: pyridine-2,6-dicarbaldehyde SMILES: C1=CC(=NC(=C1)C=O)C=O
| PubChem CID | 79485 |
|---|---|
| CAS | 5431-44-7 |
| Molecular Weight (g/mol) | 135.122 |
| MDL Number | MFCD00010103 |
| SMILES | C1=CC(=NC(=C1)C=O)C=O |
| Synonym | 2,6-pyridinedicarboxaldehyde,2,6-diformylpyridine,2,6-pyridine dialdehyde,2,6-pyridinedicarbaldehyde,pubchem22285,acmc-1ap0d,pyda72,2,6-pyridinedicarboxadehyde,2,6-pyridine dicarboxaldehyde,2,6-pyridinedicarbaldehyde # |
| IUPAC Name | pyridine-2,6-dicarbaldehyde |
| InChI Key | PMWXGSWIOOVHEQ-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO2 |
Benzyl DL-Mandelate 98.0+%, TCI America™
CAS: 890-98-2 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.274 MDL Number: MFCD00021856 InChI Key: JFKWZVQEMSKSBU-UHFFFAOYSA-N Synonym: DL-Mandelic Acid Benzyl Ester PubChem CID: 13461 IUPAC Name: benzyl 2-hydroxy-2-phenylacetate SMILES: C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)O
| PubChem CID | 13461 |
|---|---|
| CAS | 890-98-2 |
| Molecular Weight (g/mol) | 242.274 |
| MDL Number | MFCD00021856 |
| SMILES | C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)O |
| Synonym | DL-Mandelic Acid Benzyl Ester |
| IUPAC Name | benzyl 2-hydroxy-2-phenylacetate |
| InChI Key | JFKWZVQEMSKSBU-UHFFFAOYSA-N |
| Molecular Formula | C15H14O3 |
trans-4-Amylcyclohexanol 93.0+%, TCI America™
CAS: 77866-59-2 Molecular Formula: C11H22O Molecular Weight (g/mol): 170.30 MDL Number: MFCD01017412,MFCD11114412 InChI Key: VHWGPISIUNUREA-UHFFFAOYSA-N Synonym: trans-4-Pentylcyclohexanol PubChem CID: 41076 IUPAC Name: 4-pentylcyclohexan-1-ol SMILES: CCCCCC1CCC(O)CC1
| PubChem CID | 41076 |
|---|---|
| CAS | 77866-59-2 |
| Molecular Weight (g/mol) | 170.30 |
| MDL Number | MFCD01017412,MFCD11114412 |
| SMILES | CCCCCC1CCC(O)CC1 |
| Synonym | trans-4-Pentylcyclohexanol |
| IUPAC Name | 4-pentylcyclohexan-1-ol |
| InChI Key | VHWGPISIUNUREA-UHFFFAOYSA-N |
| Molecular Formula | C11H22O |
5-Acetylsalicylic Acid 98.0+%, TCI America™
CAS: 13110-96-8 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00013978 InChI Key: NZRDKNBIPVLNHA-UHFFFAOYSA-N Synonym: 5-acetylsalicylic acid,3-acetyl-6-hydroxybenzoic acid,5-acetyl-2-hydroxy-benzoic acid,benzoic acid, 5-acetyl-2-hydroxy,5-acetyl salicylic acid,acmc-1boxk,5-acetylsalicylicacid,5-acetyl-2-hydroxybenzoic acid,benzoic acid,5-acetyl-2-hydroxy PubChem CID: 83151 IUPAC Name: 5-acetyl-2-hydroxybenzoic acid SMILES: CC(=O)C1=CC(=C(C=C1)O)C(=O)O
| PubChem CID | 83151 |
|---|---|
| CAS | 13110-96-8 |
| Molecular Weight (g/mol) | 180.159 |
| MDL Number | MFCD00013978 |
| SMILES | CC(=O)C1=CC(=C(C=C1)O)C(=O)O |
| Synonym | 5-acetylsalicylic acid,3-acetyl-6-hydroxybenzoic acid,5-acetyl-2-hydroxy-benzoic acid,benzoic acid, 5-acetyl-2-hydroxy,5-acetyl salicylic acid,acmc-1boxk,5-acetylsalicylicacid,5-acetyl-2-hydroxybenzoic acid,benzoic acid,5-acetyl-2-hydroxy |
| IUPAC Name | 5-acetyl-2-hydroxybenzoic acid |
| InChI Key | NZRDKNBIPVLNHA-UHFFFAOYSA-N |
| Molecular Formula | C9H8O4 |