Organooxygen compounds
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3,4-Dihydroxybenzaldehyde, 98%
CAS: 139-85-5 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.122 MDL Number: MFCD00003370 InChI Key: IBGBGRVKPALMCQ-UHFFFAOYSA-N Synonym: protocatechualdehyde,rancinamycin iv,protocatechuic aldehyde,benzaldehyde, 3,4-dihydroxy,3,4-dihydroxybenzenecarbonal,4-formyl-1,2-dihydroxybenzene,3,4-dihydroxy-benzaldehyde,4-formyl-1,2-benzenediol,1,2-dihydroxy-4-formylbenzene,unii-4pvp2hch4t PubChem CID: 8768 ChEBI: CHEBI:50205 IUPAC Name: 3,4-dihydroxybenzaldehyde SMILES: C1=CC(=C(C=C1C=O)O)O
PubChem CID | 8768 |
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CAS | 139-85-5 |
Molecular Weight (g/mol) | 138.122 |
ChEBI | CHEBI:50205 |
MDL Number | MFCD00003370 |
SMILES | C1=CC(=C(C=C1C=O)O)O |
Synonym | protocatechualdehyde,rancinamycin iv,protocatechuic aldehyde,benzaldehyde, 3,4-dihydroxy,3,4-dihydroxybenzenecarbonal,4-formyl-1,2-dihydroxybenzene,3,4-dihydroxy-benzaldehyde,4-formyl-1,2-benzenediol,1,2-dihydroxy-4-formylbenzene,unii-4pvp2hch4t |
IUPAC Name | 3,4-dihydroxybenzaldehyde |
InChI Key | IBGBGRVKPALMCQ-UHFFFAOYSA-N |
Molecular Formula | C7H6O3 |
Ethyl 2-methylacetoacetate, 95%
CAS: 609-14-3 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009164 InChI Key: FNENWZWNOPCZGK-UHFFFAOYSA-N Synonym: ethyl 2-methylacetoacetate,ethyl 2-acetylpropionate,ethyl-2-methyl acetoacetate,ethyl methylacetoacetate,ethyl 2-methyl-3-oxobutyrate,ethyl2-methylacetoacetate,butanoic acid, 2-methyl-3-oxo-, ethyl ester,2-methylacetoacetic acid ethyl ester,ethyl alpha-methylacetylacetate,2-methyl-3-oxobutanoic acid ethyl ester PubChem CID: 701 IUPAC Name: ethyl 2-methyl-3-oxobutanoate SMILES: CCOC(=O)C(C)C(=O)C
PubChem CID | 701 |
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CAS | 609-14-3 |
Molecular Weight (g/mol) | 144.17 |
MDL Number | MFCD00009164 |
SMILES | CCOC(=O)C(C)C(=O)C |
Synonym | ethyl 2-methylacetoacetate,ethyl 2-acetylpropionate,ethyl-2-methyl acetoacetate,ethyl methylacetoacetate,ethyl 2-methyl-3-oxobutyrate,ethyl2-methylacetoacetate,butanoic acid, 2-methyl-3-oxo-, ethyl ester,2-methylacetoacetic acid ethyl ester,ethyl alpha-methylacetylacetate,2-methyl-3-oxobutanoic acid ethyl ester |
IUPAC Name | ethyl 2-methyl-3-oxobutanoate |
InChI Key | FNENWZWNOPCZGK-UHFFFAOYSA-N |
Molecular Formula | C7H12O3 |
4'-Methoxybutyrophenone, 97%
CAS: 4160-51-4 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.23 MDL Number: MFCD00027138 InChI Key: JLCDSZXBELPBRD-UHFFFAOYSA-N Synonym: 4'-methoxybutyrophenone,1-4-methoxyphenyl butan-1-one,p-methoxybutyrophenone,4-methoxybutyrophenone,1-butanone, 1-4-methoxyphenyl,butyrophenone, 4'-methoxy,1-4-methoxyphenyl-1-butanone,4-butyrylanisole,acmc-209jkw,4'-methoxy-butyrophenone PubChem CID: 77810 IUPAC Name: 1-(4-methoxyphenyl)butan-1-one SMILES: CCCC(=O)C1=CC=C(OC)C=C1
PubChem CID | 77810 |
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CAS | 4160-51-4 |
Molecular Weight (g/mol) | 178.23 |
MDL Number | MFCD00027138 |
SMILES | CCCC(=O)C1=CC=C(OC)C=C1 |
Synonym | 4'-methoxybutyrophenone,1-4-methoxyphenyl butan-1-one,p-methoxybutyrophenone,4-methoxybutyrophenone,1-butanone, 1-4-methoxyphenyl,butyrophenone, 4'-methoxy,1-4-methoxyphenyl-1-butanone,4-butyrylanisole,acmc-209jkw,4'-methoxy-butyrophenone |
IUPAC Name | 1-(4-methoxyphenyl)butan-1-one |
InChI Key | JLCDSZXBELPBRD-UHFFFAOYSA-N |
Molecular Formula | C11H14O2 |
2-Acetyl-5-chlorothiophene, 99%
CAS: 6310-09-4 Molecular Formula: C6H5ClOS Molecular Weight (g/mol): 160.62 MDL Number: MFCD00005444 InChI Key: HTZGPEHWQCRXGZ-UHFFFAOYSA-N Synonym: 2-acetyl-5-chlorothiophene,1-5-chlorothiophen-2-yl ethanone,1-5-chloro-2-thienyl ethanone,5-chloro-2-acetylthiophene,ethanone, 1-5-chloro-2-thienyl,5-chlor-2-acetyl thiophen,ketone, 5-chloro-2-thienyl methyl,1-5-chlorothiophen-2-yl ethan-1-one,5-chloro-2-thienyl methyl ketone,2-chloro-5-acetylthiophene PubChem CID: 80572 IUPAC Name: 1-(5-chlorothiophen-2-yl)ethanone SMILES: CC(=O)C1=CC=C(S1)Cl
PubChem CID | 80572 |
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CAS | 6310-09-4 |
Molecular Weight (g/mol) | 160.62 |
MDL Number | MFCD00005444 |
SMILES | CC(=O)C1=CC=C(S1)Cl |
Synonym | 2-acetyl-5-chlorothiophene,1-5-chlorothiophen-2-yl ethanone,1-5-chloro-2-thienyl ethanone,5-chloro-2-acetylthiophene,ethanone, 1-5-chloro-2-thienyl,5-chlor-2-acetyl thiophen,ketone, 5-chloro-2-thienyl methyl,1-5-chlorothiophen-2-yl ethan-1-one,5-chloro-2-thienyl methyl ketone,2-chloro-5-acetylthiophene |
IUPAC Name | 1-(5-chlorothiophen-2-yl)ethanone |
InChI Key | HTZGPEHWQCRXGZ-UHFFFAOYSA-N |
Molecular Formula | C6H5ClOS |
12-Crown-4, 98%
CAS: 294-93-9 Molecular Formula: C8H16O4 Molecular Weight (g/mol): 176.21 MDL Number: MFCD00005103 InChI Key: XQQZRZQVBFHBHL-UHFFFAOYSA-N PubChem CID: 9269 ChEBI: CHEBI:32399 IUPAC Name: 1,4,7,10-tetraoxacyclododecane SMILES: C1COCCOCCOCCO1
PubChem CID | 9269 |
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CAS | 294-93-9 |
Molecular Weight (g/mol) | 176.21 |
ChEBI | CHEBI:32399 |
MDL Number | MFCD00005103 |
SMILES | C1COCCOCCOCCO1 |
IUPAC Name | 1,4,7,10-tetraoxacyclododecane |
InChI Key | XQQZRZQVBFHBHL-UHFFFAOYSA-N |
Molecular Formula | C8H16O4 |
2'-Bromoacetophenone, 99%
CAS: 2142-69-0 Molecular Formula: C8H7BrO Molecular Weight (g/mol): 199.05 MDL Number: MFCD00000067 InChI Key: PIMNFNXBTGPCIL-UHFFFAOYSA-N Synonym: 2'-bromoacetophenone,1-2-bromophenyl ethanone,o-bromoacetophenone,ethanone, 1-2-bromophenyl,1-acetyl-2-bromobenzene,1-2-bromophenyl ethan-1-one,acetophenone, 2'-bromo,1-2-bromomphenyl ethanone,acetophenone, o-bromo,o-bromophenyl methyl ketone PubChem CID: 75060 IUPAC Name: 1-(2-bromophenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1Br
PubChem CID | 75060 |
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CAS | 2142-69-0 |
Molecular Weight (g/mol) | 199.05 |
MDL Number | MFCD00000067 |
SMILES | CC(=O)C1=CC=CC=C1Br |
Synonym | 2'-bromoacetophenone,1-2-bromophenyl ethanone,o-bromoacetophenone,ethanone, 1-2-bromophenyl,1-acetyl-2-bromobenzene,1-2-bromophenyl ethan-1-one,acetophenone, 2'-bromo,1-2-bromomphenyl ethanone,acetophenone, o-bromo,o-bromophenyl methyl ketone |
IUPAC Name | 1-(2-bromophenyl)ethanone |
InChI Key | PIMNFNXBTGPCIL-UHFFFAOYSA-N |
Molecular Formula | C8H7BrO |
2,5-Dimethyl-2,5-hexanediol, 97%
CAS: 110-03-2 Molecular Formula: C8H18O2 Molecular Weight (g/mol): 146.23 MDL Number: MFCD00004473 InChI Key: ZWNMRZQYWRLGMM-UHFFFAOYSA-N Synonym: 2,5-dimethyl-2,5-hexanediol,2,5-hexanediol, 2,5-dimethyl,unii-3pnb2s8721,1,1,4,4-tetramethyl-1,4-butanediol,2,5-dihydroxy-2,5-dimethylhexane,2,5-dimethyl-hexane-2,5-diol,dimethylhexanediol,dsstox_cid_6830,dsstox_rid_78222,dsstox_gsid_26830 PubChem CID: 8031 IUPAC Name: 2,5-dimethylhexane-2,5-diol SMILES: CC(C)(O)CCC(C)(C)O
PubChem CID | 8031 |
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CAS | 110-03-2 |
Molecular Weight (g/mol) | 146.23 |
MDL Number | MFCD00004473 |
SMILES | CC(C)(O)CCC(C)(C)O |
Synonym | 2,5-dimethyl-2,5-hexanediol,2,5-hexanediol, 2,5-dimethyl,unii-3pnb2s8721,1,1,4,4-tetramethyl-1,4-butanediol,2,5-dihydroxy-2,5-dimethylhexane,2,5-dimethyl-hexane-2,5-diol,dimethylhexanediol,dsstox_cid_6830,dsstox_rid_78222,dsstox_gsid_26830 |
IUPAC Name | 2,5-dimethylhexane-2,5-diol |
InChI Key | ZWNMRZQYWRLGMM-UHFFFAOYSA-N |
Molecular Formula | C8H18O2 |
2-Phenyl-1,3-propanediol, 98%
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 |
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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 |
2-n-Propyl-1-pentanol, 97%
CAS: 58175-57-8 Molecular Formula: C8H18O Molecular Weight (g/mol): 130.231 MDL Number: MFCD00010260 InChI Key: LASHFHLFDRTERB-UHFFFAOYSA-N Synonym: 2-propyl-1-pentanol,1-pentanol, 2-propyl,2-propylpentanol,2-n-propyl-1-pentanol,acmc-1azt3,2-propyl-1-hydroxypentane PubChem CID: 123543 IUPAC Name: 2-propylpentan-1-ol SMILES: CCCC(CCC)CO
PubChem CID | 123543 |
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CAS | 58175-57-8 |
Molecular Weight (g/mol) | 130.231 |
MDL Number | MFCD00010260 |
SMILES | CCCC(CCC)CO |
Synonym | 2-propyl-1-pentanol,1-pentanol, 2-propyl,2-propylpentanol,2-n-propyl-1-pentanol,acmc-1azt3,2-propyl-1-hydroxypentane |
IUPAC Name | 2-propylpentan-1-ol |
InChI Key | LASHFHLFDRTERB-UHFFFAOYSA-N |
Molecular Formula | C8H18O |
Chroman-3-carboxylic acid, 97%, Thermo Scientific Chemicals
CAS: 115822-57-6 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD03783554 InChI Key: UGAGZMGJJFSKQM-UHFFFAOYSA-N Synonym: chroman-3-carboxylic acid,3-chromanecarboxylic acid,chromane-3-carboxylic acid,3,4-dihydro-2h-1-benzopyran-3-carboxylic acid,2h-1-benzopyran-3-carboxylic acid, 3,4-dihydro,2h-1-benzopyran-3-carboxylicacid, 3,4-dihydro,3,4-dihydro-2h-benzopyran-3-carboxylic acid PubChem CID: 2795458 IUPAC Name: 3,4-dihydro-2H-chromene-3-carboxylic acid SMILES: C1C(COC2=CC=CC=C21)C(=O)O
PubChem CID | 2795458 |
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CAS | 115822-57-6 |
Molecular Weight (g/mol) | 178.187 |
MDL Number | MFCD03783554 |
SMILES | C1C(COC2=CC=CC=C21)C(=O)O |
Synonym | chroman-3-carboxylic acid,3-chromanecarboxylic acid,chromane-3-carboxylic acid,3,4-dihydro-2h-1-benzopyran-3-carboxylic acid,2h-1-benzopyran-3-carboxylic acid, 3,4-dihydro,2h-1-benzopyran-3-carboxylicacid, 3,4-dihydro,3,4-dihydro-2h-benzopyran-3-carboxylic acid |
IUPAC Name | 3,4-dihydro-2H-chromene-3-carboxylic acid |
InChI Key | UGAGZMGJJFSKQM-UHFFFAOYSA-N |
Molecular Formula | C10H10O3 |
Malonyl dichloride, 94%
CAS: 1663-67-8 Molecular Formula: C3H2Cl2O2 Molecular Weight (g/mol): 140.947 MDL Number: MFCD00000735 InChI Key: SXYFKXOFMCIXQW-UHFFFAOYSA-N Synonym: malonyl chloride,malonyl dichloride,malonoyl chloride,malonic acid dichloride,malonoyl dichloride,malonic acid chloride,malonylchloride,methane-1,1-dicarbonyl chloride,malonylchlorid,malonyldichloride PubChem CID: 74269 IUPAC Name: propanedioyl dichloride SMILES: C(C(=O)Cl)C(=O)Cl
PubChem CID | 74269 |
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CAS | 1663-67-8 |
Molecular Weight (g/mol) | 140.947 |
MDL Number | MFCD00000735 |
SMILES | C(C(=O)Cl)C(=O)Cl |
Synonym | malonyl chloride,malonyl dichloride,malonoyl chloride,malonic acid dichloride,malonoyl dichloride,malonic acid chloride,malonylchloride,methane-1,1-dicarbonyl chloride,malonylchlorid,malonyldichloride |
IUPAC Name | propanedioyl dichloride |
InChI Key | SXYFKXOFMCIXQW-UHFFFAOYSA-N |
Molecular Formula | C3H2Cl2O2 |
Thiazole-2-carboxaldehyde, 95%
CAS: 10200-59-6 Molecular Formula: C4H3NOS Molecular Weight (g/mol): 113.134 MDL Number: MFCD00142924 InChI Key: ZGTFNNUASMWGTM-UHFFFAOYSA-N Synonym: 2-thiazolecarboxaldehyde,thiazole-2-carbaldehyde,2-formylthiazole,thiazole-2-carboxaldehyde,2-formyl thiazole,thiazolecarboxaldehyde,2-formyl-1,3-thiazole,1,3-thiazole-2-carboxaldehyde,2-thiazolecarbaldehyde,pubchem9929 PubChem CID: 2734903 ChEBI: CHEBI:43623 IUPAC Name: 1,3-thiazole-2-carbaldehyde SMILES: C1=CSC(=N1)C=O
PubChem CID | 2734903 |
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CAS | 10200-59-6 |
Molecular Weight (g/mol) | 113.134 |
ChEBI | CHEBI:43623 |
MDL Number | MFCD00142924 |
SMILES | C1=CSC(=N1)C=O |
Synonym | 2-thiazolecarboxaldehyde,thiazole-2-carbaldehyde,2-formylthiazole,thiazole-2-carboxaldehyde,2-formyl thiazole,thiazolecarboxaldehyde,2-formyl-1,3-thiazole,1,3-thiazole-2-carboxaldehyde,2-thiazolecarbaldehyde,pubchem9929 |
IUPAC Name | 1,3-thiazole-2-carbaldehyde |
InChI Key | ZGTFNNUASMWGTM-UHFFFAOYSA-N |
Molecular Formula | C4H3NOS |
4-(Boc-amino)indole-3-carboxaldehyde, 97%
CAS: 885266-77-3 Molecular Formula: C14H16N2O3 Molecular Weight (g/mol): 260.293 MDL Number: MFCD04973990 InChI Key: XKYBSNNENLRYPN-UHFFFAOYSA-N Synonym: tert-butyl 3-formyl-1h-indol-4-ylcarbamate,tert-butyl n-3-formyl-1h-indol-4-yl carbamate,3-formyl-indol-4-yl-carbamic acid tert-butyl ester,3-formyl-1h-indol-4-yl-carbamic acid tert-butyl ester PubChem CID: 24720953 IUPAC Name: tert-butyl N-(3-formyl-1H-indol-4-yl)carbamate SMILES: CC(C)(C)OC(=O)NC1=CC=CC2=C1C(=CN2)C=O
PubChem CID | 24720953 |
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CAS | 885266-77-3 |
Molecular Weight (g/mol) | 260.293 |
MDL Number | MFCD04973990 |
SMILES | CC(C)(C)OC(=O)NC1=CC=CC2=C1C(=CN2)C=O |
Synonym | tert-butyl 3-formyl-1h-indol-4-ylcarbamate,tert-butyl n-3-formyl-1h-indol-4-yl carbamate,3-formyl-indol-4-yl-carbamic acid tert-butyl ester,3-formyl-1h-indol-4-yl-carbamic acid tert-butyl ester |
IUPAC Name | tert-butyl N-(3-formyl-1H-indol-4-yl)carbamate |
InChI Key | XKYBSNNENLRYPN-UHFFFAOYSA-N |
Molecular Formula | C14H16N2O3 |
7-Methoxyindole, 97%
CAS: 3189-22-8 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00047203 InChI Key: FSOPPXYMWZOKRM-UHFFFAOYSA-N Synonym: 7-methoxyindole,7-methoxy indole,1h-indole, 7-methoxy,indole, 7-methoxy,methoxyindole 7-,unii-9r05qk9rp4,7-methoxy-indole,pubchem7434,acmc-209hpi PubChem CID: 76660 IUPAC Name: 7-methoxy-1H-indole SMILES: COC1=CC=CC2=C1NC=C2
PubChem CID | 76660 |
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CAS | 3189-22-8 |
Molecular Weight (g/mol) | 147.177 |
MDL Number | MFCD00047203 |
SMILES | COC1=CC=CC2=C1NC=C2 |
Synonym | 7-methoxyindole,7-methoxy indole,1h-indole, 7-methoxy,indole, 7-methoxy,methoxyindole 7-,unii-9r05qk9rp4,7-methoxy-indole,pubchem7434,acmc-209hpi |
IUPAC Name | 7-methoxy-1H-indole |
InChI Key | FSOPPXYMWZOKRM-UHFFFAOYSA-N |
Molecular Formula | C9H9NO |
2-Bromopyridine-5-carboxaldehyde, 95%
CAS: 149806-06-4 Molecular Formula: C6H4BrNO Molecular Weight (g/mol): 186.01 MDL Number: MFCD04115419 InChI Key: PVUKGNBRJFTFNJ-UHFFFAOYSA-N Synonym: 6-bromonicotinaldehyde,2-bromo-5-formylpyridine,2-bromopyridine-5-carbaldehyde,6-bromo-3-pyridinecarboxaldehyde,2-bromopyridine-5-carboxaldehyde,3-pyridinecarboxaldehyde, 6-bromo,6-bromo-pyridine-3-carbaldehyde,6-bromopyridine-3-carboxaldehyde,2-bromo-5-pyridinecarbaldehyde,6-bromo-3-formylpyridine PubChem CID: 11769234 IUPAC Name: 6-bromopyridine-3-carbaldehyde SMILES: BrC1=CC=C(C=O)C=N1
PubChem CID | 11769234 |
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CAS | 149806-06-4 |
Molecular Weight (g/mol) | 186.01 |
MDL Number | MFCD04115419 |
SMILES | BrC1=CC=C(C=O)C=N1 |
Synonym | 6-bromonicotinaldehyde,2-bromo-5-formylpyridine,2-bromopyridine-5-carbaldehyde,6-bromo-3-pyridinecarboxaldehyde,2-bromopyridine-5-carboxaldehyde,3-pyridinecarboxaldehyde, 6-bromo,6-bromo-pyridine-3-carbaldehyde,6-bromopyridine-3-carboxaldehyde,2-bromo-5-pyridinecarbaldehyde,6-bromo-3-formylpyridine |
IUPAC Name | 6-bromopyridine-3-carbaldehyde |
InChI Key | PVUKGNBRJFTFNJ-UHFFFAOYSA-N |
Molecular Formula | C6H4BrNO |