Organooxygen compounds
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2-Benzothiazolemethanol, 97%
CAS: 37859-42-0 Molecular Formula: C8H7NOS Molecular Weight (g/mol): 165.21 MDL Number: MFCD00226293 InChI Key: PQXMQZYDBQBWNL-UHFFFAOYSA-N Synonym: benzo d thiazol-2-ylmethanol,2-benzothiazolemethanol,2-hydroxymethylbenzothiazole,1,3-benzothiazol-2-yl-methanol,benzothiazol-2-ylmethan-1-ol,zlchem 107,pubchem14535,benzothiazol-2-yl-methanol,chembl71700,1,3-benzothiazol-2-yl methanol PubChem CID: 268122 IUPAC Name: 1,3-benzothiazol-2-ylmethanol SMILES: OCC1=NC2=CC=CC=C2S1
| PubChem CID | 268122 |
|---|---|
| CAS | 37859-42-0 |
| Molecular Weight (g/mol) | 165.21 |
| MDL Number | MFCD00226293 |
| SMILES | OCC1=NC2=CC=CC=C2S1 |
| Synonym | benzo d thiazol-2-ylmethanol,2-benzothiazolemethanol,2-hydroxymethylbenzothiazole,1,3-benzothiazol-2-yl-methanol,benzothiazol-2-ylmethan-1-ol,zlchem 107,pubchem14535,benzothiazol-2-yl-methanol,chembl71700,1,3-benzothiazol-2-yl methanol |
| IUPAC Name | 1,3-benzothiazol-2-ylmethanol |
| InChI Key | PQXMQZYDBQBWNL-UHFFFAOYSA-N |
| Molecular Formula | C8H7NOS |
trans-2-Hexenal, 96%
CAS: 6728-26-3 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.145 MDL Number: MFCD00007008 InChI Key: MBDOYVRWFFCFHM-SNAWJCMRSA-N Synonym: trans-2-hexenal,2-hexenal,leaf aldehyde,e-2-hexenal,e-hex-2-enal,2-trans-hexenal,beta-propyl acrolein,hexylenic aldehyde,hex-2-en-1-al,2-hexenal, e PubChem CID: 5281168 ChEBI: CHEBI:28913 IUPAC Name: (E)-hex-2-enal SMILES: CCCC=CC=O
| PubChem CID | 5281168 |
|---|---|
| CAS | 6728-26-3 |
| Molecular Weight (g/mol) | 98.145 |
| ChEBI | CHEBI:28913 |
| MDL Number | MFCD00007008 |
| SMILES | CCCC=CC=O |
| Synonym | trans-2-hexenal,2-hexenal,leaf aldehyde,e-2-hexenal,e-hex-2-enal,2-trans-hexenal,beta-propyl acrolein,hexylenic aldehyde,hex-2-en-1-al,2-hexenal, e |
| IUPAC Name | (E)-hex-2-enal |
| InChI Key | MBDOYVRWFFCFHM-SNAWJCMRSA-N |
| Molecular Formula | C6H10O |
1-Methyl-2-formylbenzimidazole, 99+%
CAS: 3012-80-4 Molecular Formula: C9H8N2O Molecular Weight (g/mol): 160.18 MDL Number: MFCD00142655 InChI Key: SIRPHJCQZYVEES-UHFFFAOYSA-N Synonym: 1-methyl-1h-benzoimidazole-2-carbaldehyde,1-methyl-1h-benzimidazole-2-carboxaldehyde,1-methyl-1h-benzimidazole-2-carbaldehyde,1-methyl-1h-benzo d imidazole-2-carbaldehyde,1-methyl-2-formylbenzimidazole,1h-benzimidazole-2-carboxaldehyde, 1-methyl,1-methyl-1h-1,3-benzodiazole-2-carbaldehyde,1-methyl-1,3-benzodiazole-2-carbaldehyde,1-methyl-2-benzimidazolecarboxaldehyde,pubchem16250 PubChem CID: 762084 IUPAC Name: 1-methylbenzimidazole-2-carbaldehyde SMILES: CN1C(C=O)=NC2=CC=CC=C12
| PubChem CID | 762084 |
|---|---|
| CAS | 3012-80-4 |
| Molecular Weight (g/mol) | 160.18 |
| MDL Number | MFCD00142655 |
| SMILES | CN1C(C=O)=NC2=CC=CC=C12 |
| Synonym | 1-methyl-1h-benzoimidazole-2-carbaldehyde,1-methyl-1h-benzimidazole-2-carboxaldehyde,1-methyl-1h-benzimidazole-2-carbaldehyde,1-methyl-1h-benzo d imidazole-2-carbaldehyde,1-methyl-2-formylbenzimidazole,1h-benzimidazole-2-carboxaldehyde, 1-methyl,1-methyl-1h-1,3-benzodiazole-2-carbaldehyde,1-methyl-1,3-benzodiazole-2-carbaldehyde,1-methyl-2-benzimidazolecarboxaldehyde,pubchem16250 |
| IUPAC Name | 1-methylbenzimidazole-2-carbaldehyde |
| InChI Key | SIRPHJCQZYVEES-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2O |
5-Bromo-2-methoxypyridine, 98%
CAS: 13472-85-0 Molecular Formula: C6H6BrNO Molecular Weight (g/mol): 188.024 MDL Number: MFCD01318952 InChI Key: XADICJHFELMBGX-UHFFFAOYSA-N Synonym: 2-methoxy-5-bromopyridine,pyridine, 5-bromo-2-methoxy,3-bromo-6-methoxypyridine,5-bromo-2-methoxy-pyridine,2-methyloxy-5-bromopyridine,5-bromo-2-methoxy pyridine,2-methoxy-5-bromo-pyridine,2-methyloxy-5-bromo pyridine,zlchem 355,pubchem2408 PubChem CID: 2734895 IUPAC Name: 5-bromo-2-methoxypyridine SMILES: COC1=NC=C(C=C1)Br
| PubChem CID | 2734895 |
|---|---|
| CAS | 13472-85-0 |
| Molecular Weight (g/mol) | 188.024 |
| MDL Number | MFCD01318952 |
| SMILES | COC1=NC=C(C=C1)Br |
| Synonym | 2-methoxy-5-bromopyridine,pyridine, 5-bromo-2-methoxy,3-bromo-6-methoxypyridine,5-bromo-2-methoxy-pyridine,2-methyloxy-5-bromopyridine,5-bromo-2-methoxy pyridine,2-methoxy-5-bromo-pyridine,2-methyloxy-5-bromo pyridine,zlchem 355,pubchem2408 |
| IUPAC Name | 5-bromo-2-methoxypyridine |
| InChI Key | XADICJHFELMBGX-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrNO |
Methyl 4-chloroacetoacetate, 97%
CAS: 32807-28-6 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.56 MDL Number: MFCD00000938 InChI Key: HFLMYYLFSNEOOT-UHFFFAOYSA-N Synonym: methyl 4-chloroacetoacetate,methyl 4-chloro-3-oxo-butanoate,butanoic acid, 4-chloro-3-oxo-, methyl ester,4-chloroacetoacetic acid methyl ester,methyl 4-chloro-3-oxobutyrate,methyl gamma-chloroacetoacetate,methyl-4-chloroacetoacetate,acetoacetic acid, 4-chloro-, methyl ester,4-chloroacetonacetic acid nethyl ester,pubchem11042 PubChem CID: 36240 IUPAC Name: methyl 4-chloro-3-oxobutanoate SMILES: COC(=O)CC(=O)CCl
| PubChem CID | 36240 |
|---|---|
| CAS | 32807-28-6 |
| Molecular Weight (g/mol) | 150.56 |
| MDL Number | MFCD00000938 |
| SMILES | COC(=O)CC(=O)CCl |
| Synonym | methyl 4-chloroacetoacetate,methyl 4-chloro-3-oxo-butanoate,butanoic acid, 4-chloro-3-oxo-, methyl ester,4-chloroacetoacetic acid methyl ester,methyl 4-chloro-3-oxobutyrate,methyl gamma-chloroacetoacetate,methyl-4-chloroacetoacetate,acetoacetic acid, 4-chloro-, methyl ester,4-chloroacetonacetic acid nethyl ester,pubchem11042 |
| IUPAC Name | methyl 4-chloro-3-oxobutanoate |
| InChI Key | HFLMYYLFSNEOOT-UHFFFAOYSA-N |
| Molecular Formula | C5H7ClO3 |
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CAS: 87-66-1 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.11 MDL Number: MFCD00002192 InChI Key: WQGWDDDVZFFDIG-UHFFFAOYSA-N IUPAC Name: benzene-1,2,3-triol SMILES: OC1=CC=CC(O)=C1O
| CAS | 87-66-1 |
|---|---|
| Molecular Weight (g/mol) | 126.11 |
| MDL Number | MFCD00002192 |
| SMILES | OC1=CC=CC(O)=C1O |
| IUPAC Name | benzene-1,2,3-triol |
| InChI Key | WQGWDDDVZFFDIG-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3 |
Trolox™, 97%
CAS: 53188-07-1 Molecular Formula: C14H18O4 Molecular Weight (g/mol): 250.29 MDL Number: MFCD00006846 InChI Key: GLEVLJDDWXEYCO-UHFFFAOYNA-N Synonym: trolox,6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid,trolox c,3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2h-1-benzopyran-2-carboxylic acid,6-hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acid,2h-1-benzopyran-2-carboxylic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl,+/--6-hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acid,2h-1-benzopyran-2-carboxylic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-, +-,trolox™,trolox tm PubChem CID: 40634 ChEBI: CHEBI:82625 IUPAC Name: 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid SMILES: CC1=C(C)C2=C(CCC(C)(O2)C(O)=O)C(C)=C1O
| PubChem CID | 40634 |
|---|---|
| CAS | 53188-07-1 |
| Molecular Weight (g/mol) | 250.29 |
| ChEBI | CHEBI:82625 |
| MDL Number | MFCD00006846 |
| SMILES | CC1=C(C)C2=C(CCC(C)(O2)C(O)=O)C(C)=C1O |
| Synonym | trolox,6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid,trolox c,3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2h-1-benzopyran-2-carboxylic acid,6-hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acid,2h-1-benzopyran-2-carboxylic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl,+/--6-hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acid,2h-1-benzopyran-2-carboxylic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-, +-,trolox™,trolox tm |
| IUPAC Name | 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid |
| InChI Key | GLEVLJDDWXEYCO-UHFFFAOYNA-N |
| Molecular Formula | C14H18O4 |
Biphenyl-4-carboxaldehyde, 98+%
CAS: 3218-36-8 Molecular Formula: C13H10O Molecular Weight (g/mol): 182.22 MDL Number: MFCD00006947 InChI Key: ISDBWOPVZKNQDW-UHFFFAOYSA-N Synonym: 4-biphenylcarboxaldehyde,4-biphenylaldehyde,p-phenylbenzaldehyde,1,1'-biphenyl-4-carbaldehyde,biphenyl-4-carboxaldehyde,4-formylbiphenyl,p-biphenylylaldehyde,1,1'-biphenyl-4-carboxaldehyde,p-biphenylaldehyde,p-biphenylcarboxaldehyde PubChem CID: 76689 IUPAC Name: 4-phenylbenzaldehyde SMILES: O=CC1=CC=C(C=C1)C1=CC=CC=C1
| PubChem CID | 76689 |
|---|---|
| CAS | 3218-36-8 |
| Molecular Weight (g/mol) | 182.22 |
| MDL Number | MFCD00006947 |
| SMILES | O=CC1=CC=C(C=C1)C1=CC=CC=C1 |
| Synonym | 4-biphenylcarboxaldehyde,4-biphenylaldehyde,p-phenylbenzaldehyde,1,1'-biphenyl-4-carbaldehyde,biphenyl-4-carboxaldehyde,4-formylbiphenyl,p-biphenylylaldehyde,1,1'-biphenyl-4-carboxaldehyde,p-biphenylaldehyde,p-biphenylcarboxaldehyde |
| IUPAC Name | 4-phenylbenzaldehyde |
| InChI Key | ISDBWOPVZKNQDW-UHFFFAOYSA-N |
| Molecular Formula | C13H10O |
4-(4-Chlorobenzoyl)pyridine, 99+%
CAS: 14548-48-2 Molecular Formula: C12H8ClNO Molecular Weight (g/mol): 217.652 MDL Number: MFCD00006431 InChI Key: YMTFKKLFLLAFNI-UHFFFAOYSA-N Synonym: 4-4-chlorobenzoyl pyridine,4-chlorophenyl pyridin-4-yl methanone,4-4'-chlorobenzoyl pyridine,4-chlorophenyl-pyridin-4-ylmethanone,methanone, 4-chlorophenyl-4-pyridinyl,acmc-1bu0c,4-4-chloro-benzoyl pyridine,4-chlorophenyl 4-pyridyl ketone,4-chlorophenyl pyridin-4-ylmethanone,4-chlorophenyl-4-pyridyl methanone PubChem CID: 98503 IUPAC Name: (4-chlorophenyl)-pyridin-4-ylmethanone SMILES: C1=CC(=CC=C1C(=O)C2=CC=NC=C2)Cl
| PubChem CID | 98503 |
|---|---|
| CAS | 14548-48-2 |
| Molecular Weight (g/mol) | 217.652 |
| MDL Number | MFCD00006431 |
| SMILES | C1=CC(=CC=C1C(=O)C2=CC=NC=C2)Cl |
| Synonym | 4-4-chlorobenzoyl pyridine,4-chlorophenyl pyridin-4-yl methanone,4-4'-chlorobenzoyl pyridine,4-chlorophenyl-pyridin-4-ylmethanone,methanone, 4-chlorophenyl-4-pyridinyl,acmc-1bu0c,4-4-chloro-benzoyl pyridine,4-chlorophenyl 4-pyridyl ketone,4-chlorophenyl pyridin-4-ylmethanone,4-chlorophenyl-4-pyridyl methanone |
| IUPAC Name | (4-chlorophenyl)-pyridin-4-ylmethanone |
| InChI Key | YMTFKKLFLLAFNI-UHFFFAOYSA-N |
| Molecular Formula | C12H8ClNO |
Nonanophenone, 97%
CAS: 6008-36-2 Molecular Formula: C15H22O Molecular Weight (g/mol): 218.34 MDL Number: MFCD00048965 InChI Key: PFUPABFCHVRLLY-UHFFFAOYSA-N Synonym: nonanophenone,n-nonanophenone,n-octyl phenyl ketone,1-phenyl-1-nonanone,1-nonanone, 1-phenyl,1-phenyl-nonan-1-one,acmc-209mhy PubChem CID: 80108 IUPAC Name: 1-phenylnonan-1-one SMILES: CCCCCCCCC(=O)C1=CC=CC=C1
| PubChem CID | 80108 |
|---|---|
| CAS | 6008-36-2 |
| Molecular Weight (g/mol) | 218.34 |
| MDL Number | MFCD00048965 |
| SMILES | CCCCCCCCC(=O)C1=CC=CC=C1 |
| Synonym | nonanophenone,n-nonanophenone,n-octyl phenyl ketone,1-phenyl-1-nonanone,1-nonanone, 1-phenyl,1-phenyl-nonan-1-one,acmc-209mhy |
| IUPAC Name | 1-phenylnonan-1-one |
| InChI Key | PFUPABFCHVRLLY-UHFFFAOYSA-N |
| Molecular Formula | C15H22O |
Diacetin, mixed isomers, tech. ca 50%, remainder triacetin and monoacetin
CAS: 25395-31-7 Molecular Formula: C7H12O5 MDL Number: MFCD00008717 Synonym: glyceryl diacetate,1,2-diacetin,glycerol diacetate,1,2,3-propanetriol, diacetate,3-hydroxypropane-1,2-diyl diacetate,glycerol 1,2-diacetate,1,2-diacylglycerol,2,3-diacetin,1,2-diacetylglycerol,acetin, di
| CAS | 25395-31-7 |
|---|---|
| MDL Number | MFCD00008717 |
| Synonym | glyceryl diacetate,1,2-diacetin,glycerol diacetate,1,2,3-propanetriol, diacetate,3-hydroxypropane-1,2-diyl diacetate,glycerol 1,2-diacetate,1,2-diacylglycerol,2,3-diacetin,1,2-diacetylglycerol,acetin, di |
| Molecular Formula | C7H12O5 |
6-Methoxybenzothiazole-2-carbonitrile, 99%
CAS: 943-03-3 Molecular Formula: C9H6N2OS Molecular Weight (g/mol): 190.22 MDL Number: MFCD00010537 InChI Key: DEWDWBYQOFXKIH-UHFFFAOYSA-N Synonym: 2-cyano-6-methoxybenzothiazole,6-methoxybenzo d thiazole-2-carbonitrile,6-methoxy-2-benzothiazolecarbonitrile,6-methoxybenzothiazole-2-carbonitrile,6-methoxy-benzothiazole-2-carbonitrile,6-methoxy-2-cyano-benzothiazole,2-benzothiazolecarbonitrile, 6-methoxy,pubchem9766,acmc-209rr8,ksc486m5p PubChem CID: 342109 IUPAC Name: 6-methoxy-1,3-benzothiazole-2-carbonitrile SMILES: COC1=CC2=C(C=C1)N=C(S2)C#N
| PubChem CID | 342109 |
|---|---|
| CAS | 943-03-3 |
| Molecular Weight (g/mol) | 190.22 |
| MDL Number | MFCD00010537 |
| SMILES | COC1=CC2=C(C=C1)N=C(S2)C#N |
| Synonym | 2-cyano-6-methoxybenzothiazole,6-methoxybenzo d thiazole-2-carbonitrile,6-methoxy-2-benzothiazolecarbonitrile,6-methoxybenzothiazole-2-carbonitrile,6-methoxy-benzothiazole-2-carbonitrile,6-methoxy-2-cyano-benzothiazole,2-benzothiazolecarbonitrile, 6-methoxy,pubchem9766,acmc-209rr8,ksc486m5p |
| IUPAC Name | 6-methoxy-1,3-benzothiazole-2-carbonitrile |
| InChI Key | DEWDWBYQOFXKIH-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2OS |
2,6-Dimethoxybenzaldehyde, 99%
CAS: 3392-97-0 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00010862 InChI Key: WXSGQHKHUYTJNB-UHFFFAOYSA-N Synonym: benzaldehyde, 2,6-dimethoxy,unii-54p7cg8v99,pubchem8226,acmc-1ckys,2,6 dimethoxybenzaldehyde,2,6-dimethoxy-benzaldehyde,ksc497m3h,1,3-dimethoxy-2-formylbenzene,paragos 460025,timtec-bb sbb006541 PubChem CID: 96404 IUPAC Name: 2,6-dimethoxybenzaldehyde SMILES: COC1=CC=CC(OC)=C1C=O
| PubChem CID | 96404 |
|---|---|
| CAS | 3392-97-0 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00010862 |
| SMILES | COC1=CC=CC(OC)=C1C=O |
| Synonym | benzaldehyde, 2,6-dimethoxy,unii-54p7cg8v99,pubchem8226,acmc-1ckys,2,6 dimethoxybenzaldehyde,2,6-dimethoxy-benzaldehyde,ksc497m3h,1,3-dimethoxy-2-formylbenzene,paragos 460025,timtec-bb sbb006541 |
| IUPAC Name | 2,6-dimethoxybenzaldehyde |
| InChI Key | WXSGQHKHUYTJNB-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
| MDL Number | MFCD00006991 |
|---|
3,3-Diethoxy-1-propanol, 98%
CAS: 16777-87-0 Molecular Formula: C7H16O3 Molecular Weight (g/mol): 148.20 MDL Number: MFCD00074850 InChI Key: ASERXEZXVIJBRO-UHFFFAOYSA-N PubChem CID: 140135 IUPAC Name: 3,3-diethoxypropan-1-ol SMILES: CCOC(CCO)OCC
| PubChem CID | 140135 |
|---|---|
| CAS | 16777-87-0 |
| Molecular Weight (g/mol) | 148.20 |
| MDL Number | MFCD00074850 |
| SMILES | CCOC(CCO)OCC |
| IUPAC Name | 3,3-diethoxypropan-1-ol |
| InChI Key | ASERXEZXVIJBRO-UHFFFAOYSA-N |
| Molecular Formula | C7H16O3 |