Organooxygen compounds
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2',6'-Difluoroacetophenone, 98%, Thermo Scientific™
CAS: 13670-99-0 Molecular Formula: C8H6F2O Molecular Weight (g/mol): 156.13 MDL Number: MFCD00000328 InChI Key: VGIIILXIQLXVLC-UHFFFAOYSA-N Synonym: 2',6'-difluoroacetophenone,1-2,6-difluorophenyl ethanone,2,6-difluoroacetophenone,1-2,6-difluorophenyl ethan-1-one,ethanone, 1-2,6-difluorophenyl,acetophenone, 2',6'-difluoro,1-acetyl-2,6-difluorobenzene,fr cf bv1,pubchem4218,intermediates-zcf02054 PubChem CID: 83643 IUPAC Name: 1-(2,6-difluorophenyl)ethanone SMILES: CC(=O)C1=C(F)C=CC=C1F
PubChem CID | 83643 |
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CAS | 13670-99-0 |
Molecular Weight (g/mol) | 156.13 |
MDL Number | MFCD00000328 |
SMILES | CC(=O)C1=C(F)C=CC=C1F |
Synonym | 2',6'-difluoroacetophenone,1-2,6-difluorophenyl ethanone,2,6-difluoroacetophenone,1-2,6-difluorophenyl ethan-1-one,ethanone, 1-2,6-difluorophenyl,acetophenone, 2',6'-difluoro,1-acetyl-2,6-difluorobenzene,fr cf bv1,pubchem4218,intermediates-zcf02054 |
IUPAC Name | 1-(2,6-difluorophenyl)ethanone |
InChI Key | VGIIILXIQLXVLC-UHFFFAOYSA-N |
Molecular Formula | C8H6F2O |
2-Hydroxy-4-methoxybenzaldehyde, 99%
CAS: 673-22-3 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00003327 InChI Key: WZUODJNEIXSNEU-UHFFFAOYSA-N Synonym: 4-methoxysalicylaldehyde,benzaldehyde, 2-hydroxy-4-methoxy,4-methoxysalicyaldehyde,2-hydroxy-4-methoxy-benzaldehyde,o-hydroxy-p-methoxybenzaldehyde,p-anisaldehyde, 2-hydroxy,salicylaldehyde, 4-methoxy,2-hydroxy-p-anisaldehyde,2-formyl-5-methoxyphenol,unii-2n395p88lw PubChem CID: 69600 IUPAC Name: 2-hydroxy-4-methoxybenzaldehyde SMILES: COC1=CC=C(C=O)C(O)=C1
PubChem CID | 69600 |
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CAS | 673-22-3 |
Molecular Weight (g/mol) | 152.15 |
MDL Number | MFCD00003327 |
SMILES | COC1=CC=C(C=O)C(O)=C1 |
Synonym | 4-methoxysalicylaldehyde,benzaldehyde, 2-hydroxy-4-methoxy,4-methoxysalicyaldehyde,2-hydroxy-4-methoxy-benzaldehyde,o-hydroxy-p-methoxybenzaldehyde,p-anisaldehyde, 2-hydroxy,salicylaldehyde, 4-methoxy,2-hydroxy-p-anisaldehyde,2-formyl-5-methoxyphenol,unii-2n395p88lw |
IUPAC Name | 2-hydroxy-4-methoxybenzaldehyde |
InChI Key | WZUODJNEIXSNEU-UHFFFAOYSA-N |
Molecular Formula | C8H8O3 |
2'-Bromoacetophenone, 98+%
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 |
Methyl 2-chloroacetoacetate, 95%
CAS: 4755-81-1 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.56 MDL Number: MFCD00008757 InChI Key: GYQRIAVRKLRQKP-UHFFFAOYSA-N Synonym: methyl 2-chloroacetoacetate,butanoic acid, 2-chloro-3-oxo-, methyl ester,2-chloroacetoacetic acid methyl ester,2-chloro-3-oxo-butyric acid methyl ester,methyl2-chloroacetoacetate,acmc-209k9v,methyl-2-chloroacetoacetate,methyl-alpha-chloroacetoacetate,2-chloroacetoacetate methyl ester,gyqriavrklrqkp-uhfffaoysa PubChem CID: 107332 IUPAC Name: methyl 2-chloro-3-oxobutanoate SMILES: CC(=O)C(C(=O)OC)Cl
PubChem CID | 107332 |
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CAS | 4755-81-1 |
Molecular Weight (g/mol) | 150.56 |
MDL Number | MFCD00008757 |
SMILES | CC(=O)C(C(=O)OC)Cl |
Synonym | methyl 2-chloroacetoacetate,butanoic acid, 2-chloro-3-oxo-, methyl ester,2-chloroacetoacetic acid methyl ester,2-chloro-3-oxo-butyric acid methyl ester,methyl2-chloroacetoacetate,acmc-209k9v,methyl-2-chloroacetoacetate,methyl-alpha-chloroacetoacetate,2-chloroacetoacetate methyl ester,gyqriavrklrqkp-uhfffaoysa |
IUPAC Name | methyl 2-chloro-3-oxobutanoate |
InChI Key | GYQRIAVRKLRQKP-UHFFFAOYSA-N |
Molecular Formula | C5H7ClO3 |
1-Tetradecanol, 99%
CAS: 112-72-1 Molecular Formula: C14H30O Molecular Weight (g/mol): 214.39 MDL Number: MFCD00004757 InChI Key: HLZKNKRTKFSKGZ-UHFFFAOYSA-N Synonym: 1-tetradecanol,myristyl alcohol,tetradecanol,tetradecyl alcohol,n-tetradecanol,myristic alcohol,n-tetradecyl alcohol,lanette k,loxanol v,lanette wax ks PubChem CID: 8209 ChEBI: CHEBI:77417 IUPAC Name: tetradecan-1-ol SMILES: CCCCCCCCCCCCCCO
PubChem CID | 8209 |
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CAS | 112-72-1 |
Molecular Weight (g/mol) | 214.39 |
ChEBI | CHEBI:77417 |
MDL Number | MFCD00004757 |
SMILES | CCCCCCCCCCCCCCO |
Synonym | 1-tetradecanol,myristyl alcohol,tetradecanol,tetradecyl alcohol,n-tetradecanol,myristic alcohol,n-tetradecyl alcohol,lanette k,loxanol v,lanette wax ks |
IUPAC Name | tetradecan-1-ol |
InChI Key | HLZKNKRTKFSKGZ-UHFFFAOYSA-N |
Molecular Formula | C14H30O |
3-Phenyl-1-propanol, 98%
CAS: 122-97-4 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.19 MDL Number: MFCD00002950 InChI Key: VAJVDSVGBWFCLW-UHFFFAOYSA-N Synonym: 3-phenyl-1-propanol,benzenepropanol,hydrocinnamyl alcohol,3-phenylpropyl alcohol,3-phenylpropanol,3-benzenepropanol,phenylpropyl alcohol,hydrocinnamic alcohol,3-phenyl-n-propanol,3-hydroxypropyl benzene PubChem CID: 31234 IUPAC Name: 3-phenylpropan-1-ol SMILES: C1=CC=C(C=C1)CCCO
PubChem CID | 31234 |
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CAS | 122-97-4 |
Molecular Weight (g/mol) | 136.19 |
MDL Number | MFCD00002950 |
SMILES | C1=CC=C(C=C1)CCCO |
Synonym | 3-phenyl-1-propanol,benzenepropanol,hydrocinnamyl alcohol,3-phenylpropyl alcohol,3-phenylpropanol,3-benzenepropanol,phenylpropyl alcohol,hydrocinnamic alcohol,3-phenyl-n-propanol,3-hydroxypropyl benzene |
IUPAC Name | 3-phenylpropan-1-ol |
InChI Key | VAJVDSVGBWFCLW-UHFFFAOYSA-N |
Molecular Formula | C9H12O |
2-Methoxynaphthalene, 98%
CAS: 93-04-9 Molecular Formula: C11H10O Molecular Weight (g/mol): 158.2 MDL Number: MFCD00004061 InChI Key: LUZDYPLAQQGJEA-UHFFFAOYSA-N Synonym: naphthalene, 2-methoxy,yara yara,nerolin,methyl 2-naphthyl ether,yura yara,2-naphthyl methyl ether,yara-yara,2-naphthol methyl ether,nerolin old,beta-naphthyl methyl ether PubChem CID: 7119 IUPAC Name: 2-methoxynaphthalene SMILES: COC1=CC2=CC=CC=C2C=C1
PubChem CID | 7119 |
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CAS | 93-04-9 |
Molecular Weight (g/mol) | 158.2 |
MDL Number | MFCD00004061 |
SMILES | COC1=CC2=CC=CC=C2C=C1 |
Synonym | naphthalene, 2-methoxy,yara yara,nerolin,methyl 2-naphthyl ether,yura yara,2-naphthyl methyl ether,yara-yara,2-naphthol methyl ether,nerolin old,beta-naphthyl methyl ether |
IUPAC Name | 2-methoxynaphthalene |
InChI Key | LUZDYPLAQQGJEA-UHFFFAOYSA-N |
Molecular Formula | C11H10O |
2-Methyl-3-buten-2-ol, 97%
CAS: 115-18-4 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00004470 InChI Key: HNVRRHSXBLFLIG-UHFFFAOYSA-N Synonym: 2-methyl-3-buten-2-ol,1,1-dimethylallyl alcohol,methylbutenol,3-buten-2-ol, 2-methyl,3-hydroxy-3-methyl-1-butene,dimethylvinylcarbinol,dimethylvinylmethanol,vinyldimethylcarbinol,isoprenyl alcohol,3-methyl-1-buten-3-ol PubChem CID: 8257 IUPAC Name: 2-methylbut-3-en-2-ol SMILES: CC(C)(C=C)O
PubChem CID | 8257 |
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CAS | 115-18-4 |
Molecular Weight (g/mol) | 86.13 |
MDL Number | MFCD00004470 |
SMILES | CC(C)(C=C)O |
Synonym | 2-methyl-3-buten-2-ol,1,1-dimethylallyl alcohol,methylbutenol,3-buten-2-ol, 2-methyl,3-hydroxy-3-methyl-1-butene,dimethylvinylcarbinol,dimethylvinylmethanol,vinyldimethylcarbinol,isoprenyl alcohol,3-methyl-1-buten-3-ol |
IUPAC Name | 2-methylbut-3-en-2-ol |
InChI Key | HNVRRHSXBLFLIG-UHFFFAOYSA-N |
Molecular Formula | C5H10O |
D(-)-Quinic acid, 98+%
CAS: 77-95-2 Molecular Formula: C7H12O6 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00003864 InChI Key: AAWZDTNXLSGCEK-UHFFFAOYNA-N Synonym: quinic acid,d---quinic acid,--quinic acid,chinic acid,kinic acid,chinasaure,quinate,l-quinic acid,d-quinic acid,unii-058c04bgyi PubChem CID: 6508 IUPAC Name: (3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid SMILES: OC1CC(O)(CC(O)C1O)C(O)=O
PubChem CID | 6508 |
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CAS | 77-95-2 |
Molecular Weight (g/mol) | 192.17 |
MDL Number | MFCD00003864 |
SMILES | OC1CC(O)(CC(O)C1O)C(O)=O |
Synonym | quinic acid,d---quinic acid,--quinic acid,chinic acid,kinic acid,chinasaure,quinate,l-quinic acid,d-quinic acid,unii-058c04bgyi |
IUPAC Name | (3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid |
InChI Key | AAWZDTNXLSGCEK-UHFFFAOYNA-N |
Molecular Formula | C7H12O6 |
trans-1,2-Cyclohexanediol, 97%
CAS: 1460-57-7 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00063611 InChI Key: PFURGBBHAOXLIO-PHDIDXHHSA-N Synonym: trans-1,2-cyclohexanediol,trans-cyclohexane-1,2-diol,1r,2r-cyclohexane-1,2-diol,1r,2r-trans-1,2-cyclohexanediol,1,2-cyclohexanediol, 1r,2r-rel,trans-1,2-dihydroxycyclohexane,1,2-cyclohexanediol, trans,l6tj aq bq & trans,trans-1,2-cyclohexandiol,1r,2r-1,2-cyclohexanediol PubChem CID: 92886 ChEBI: CHEBI:16931 IUPAC Name: (1R,2R)-cyclohexane-1,2-diol SMILES: O[C@@H]1CCCC[C@H]1O
PubChem CID | 92886 |
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CAS | 1460-57-7 |
Molecular Weight (g/mol) | 116.16 |
ChEBI | CHEBI:16931 |
MDL Number | MFCD00063611 |
SMILES | O[C@@H]1CCCC[C@H]1O |
Synonym | trans-1,2-cyclohexanediol,trans-cyclohexane-1,2-diol,1r,2r-cyclohexane-1,2-diol,1r,2r-trans-1,2-cyclohexanediol,1,2-cyclohexanediol, 1r,2r-rel,trans-1,2-dihydroxycyclohexane,1,2-cyclohexanediol, trans,l6tj aq bq & trans,trans-1,2-cyclohexandiol,1r,2r-1,2-cyclohexanediol |
IUPAC Name | (1R,2R)-cyclohexane-1,2-diol |
InChI Key | PFURGBBHAOXLIO-PHDIDXHHSA-N |
Molecular Formula | C6H12O2 |
4'-Methoxyacetophenone, 98%
CAS: 100-06-1 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00008745 InChI Key: NTPLXRHDUXRPNE-UHFFFAOYSA-N Synonym: 4'-methoxyacetophenone,4-acetylanisole,4-methoxyacetophenone,1-4-methoxyphenyl ethanone,p-methoxyacetophenone,acetanisole,novatone,linarodin,vananote,ethanone, 1-4-methoxyphenyl PubChem CID: 7476 ChEBI: CHEBI:86567 SMILES: COC1=CC=C(C=C1)C(C)=O
PubChem CID | 7476 |
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CAS | 100-06-1 |
Molecular Weight (g/mol) | 150.18 |
ChEBI | CHEBI:86567 |
MDL Number | MFCD00008745 |
SMILES | COC1=CC=C(C=C1)C(C)=O |
Synonym | 4'-methoxyacetophenone,4-acetylanisole,4-methoxyacetophenone,1-4-methoxyphenyl ethanone,p-methoxyacetophenone,acetanisole,novatone,linarodin,vananote,ethanone, 1-4-methoxyphenyl |
InChI Key | NTPLXRHDUXRPNE-UHFFFAOYSA-N |
Molecular Formula | C9H10O2 |
Malonaldehyde bis(diethyl acetal), 97%
CAS: 122-31-6 Molecular Formula: C11H24O4 Molecular Weight (g/mol): 220.31 MDL Number: MFCD00009240 InChI Key: KVJHGPAAOUGYJX-UHFFFAOYSA-N Synonym: malonaldehyde bis diethyl acetal,tetraethoxypropane,malonaldehyde tetraethyl acetal,malonaldehyde diethyl acetal,usaf kf-26,propane, 1,1,3,3-tetraethoxy,tetraethyl malondialdehyde acetal,tetraethoxy propane,malonaldehyde tetraethyl diacetal,malonaldehyde, bis diethyl acetal PubChem CID: 67147 IUPAC Name: 1,1,3,3-tetraethoxypropane SMILES: CCOC(CC(OCC)OCC)OCC
PubChem CID | 67147 |
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CAS | 122-31-6 |
Molecular Weight (g/mol) | 220.31 |
MDL Number | MFCD00009240 |
SMILES | CCOC(CC(OCC)OCC)OCC |
Synonym | malonaldehyde bis diethyl acetal,tetraethoxypropane,malonaldehyde tetraethyl acetal,malonaldehyde diethyl acetal,usaf kf-26,propane, 1,1,3,3-tetraethoxy,tetraethyl malondialdehyde acetal,tetraethoxy propane,malonaldehyde tetraethyl diacetal,malonaldehyde, bis diethyl acetal |
IUPAC Name | 1,1,3,3-tetraethoxypropane |
InChI Key | KVJHGPAAOUGYJX-UHFFFAOYSA-N |
Molecular Formula | C11H24O4 |
N-Methylpyrrole-2-carboxaldehyde, 98%
CAS: 1192-58-1 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.13 MDL Number: MFCD00003087 InChI Key: OUKQTRFCDKSEPL-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrrole-2-carbaldehyde,1-methylpyrrole-2-carboxaldehyde,n-methylpyrrole-2-carboxaldehyde,n-methyl-2-pyrrolecarboxaldehyde,1-methyl-1h-pyrrole-2-carboxaldehyde,2-formyl-1-methylpyrrole,1-methyl-2-pyrrolecarboxaldehyde,1h-pyrrole-2-carboxaldehyde, 1-methyl,unii-m0hyh3d7sx,1-methyl-2-formylpyrrole PubChem CID: 14504 IUPAC Name: 1-methylpyrrole-2-carbaldehyde SMILES: CN1C=CC=C1C=O
PubChem CID | 14504 |
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CAS | 1192-58-1 |
Molecular Weight (g/mol) | 109.13 |
MDL Number | MFCD00003087 |
SMILES | CN1C=CC=C1C=O |
Synonym | 1-methyl-1h-pyrrole-2-carbaldehyde,1-methylpyrrole-2-carboxaldehyde,n-methylpyrrole-2-carboxaldehyde,n-methyl-2-pyrrolecarboxaldehyde,1-methyl-1h-pyrrole-2-carboxaldehyde,2-formyl-1-methylpyrrole,1-methyl-2-pyrrolecarboxaldehyde,1h-pyrrole-2-carboxaldehyde, 1-methyl,unii-m0hyh3d7sx,1-methyl-2-formylpyrrole |
IUPAC Name | 1-methylpyrrole-2-carbaldehyde |
InChI Key | OUKQTRFCDKSEPL-UHFFFAOYSA-N |
Molecular Formula | C6H7NO |
4-(4-Methylpiperazino)acetophenone, 98%, Thermo Scientific™
CAS: 26586-55-0 Molecular Formula: C13H18N2O Molecular Weight (g/mol): 218.3 MDL Number: MFCD00023297 InChI Key: IRIZGAMYKHTLKS-UHFFFAOYSA-N Synonym: 1-4-4-methylpiperazino phenyl-1-ethanone,1-4-4-methylpiperazin-1-yl phenyl ethanone,p-4-methylpiperazino-acetophenone,acetophenone, 4'-4-methyl-1-piperazinyl,1-4-4-methylpiperazin-1-yl phenyl ethan-1-one,ethanone, 1-4-4-methyl-1-piperazinyl phenyl,ethanone,1-4-4-methyl-1-piperazinyl phenyl PubChem CID: 33551 IUPAC Name: 1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone SMILES: CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C
PubChem CID | 33551 |
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CAS | 26586-55-0 |
Molecular Weight (g/mol) | 218.3 |
MDL Number | MFCD00023297 |
SMILES | CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C |
Synonym | 1-4-4-methylpiperazino phenyl-1-ethanone,1-4-4-methylpiperazin-1-yl phenyl ethanone,p-4-methylpiperazino-acetophenone,acetophenone, 4'-4-methyl-1-piperazinyl,1-4-4-methylpiperazin-1-yl phenyl ethan-1-one,ethanone, 1-4-4-methyl-1-piperazinyl phenyl,ethanone,1-4-4-methyl-1-piperazinyl phenyl |
IUPAC Name | 1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone |
InChI Key | IRIZGAMYKHTLKS-UHFFFAOYSA-N |
Molecular Formula | C13H18N2O |