Organooxygen compounds
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2-Bromo-3'-methoxyacetophenone, 98%
CAS: 5000-65-7 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00000199 InChI Key: IOOHBIFQNQQUFI-UHFFFAOYSA-N Synonym: 2-bromo-1-3-methoxyphenyl ethanone,2-bromo-3'-methoxyacetophenone,m-methoxyphenacyl bromide,3'-methoxyphenacyl bromide,3-bromoacetyl anisole,2-bromo-1-3-methoxyphenyl ethan-1-one,3-methoxyphenacyl bromide,bromomethyl 3-methoxyphenyl ketone,ccris 7998,3-methoxyphenacylbromide PubChem CID: 101294 IUPAC Name: 2-bromo-1-(3-methoxyphenyl)ethanone SMILES: COC1=CC=CC(=C1)C(=O)CBr
| PubChem CID | 101294 |
|---|---|
| CAS | 5000-65-7 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD00000199 |
| SMILES | COC1=CC=CC(=C1)C(=O)CBr |
| Synonym | 2-bromo-1-3-methoxyphenyl ethanone,2-bromo-3'-methoxyacetophenone,m-methoxyphenacyl bromide,3'-methoxyphenacyl bromide,3-bromoacetyl anisole,2-bromo-1-3-methoxyphenyl ethan-1-one,3-methoxyphenacyl bromide,bromomethyl 3-methoxyphenyl ketone,ccris 7998,3-methoxyphenacylbromide |
| IUPAC Name | 2-bromo-1-(3-methoxyphenyl)ethanone |
| InChI Key | IOOHBIFQNQQUFI-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
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 |
|---|---|
| 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-Phenylpropionaldehyde, 94.9%, MP Biomedicals™
CAS: 104-53-0 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 InChI Key: YGCZTXZTJXYWCO-UHFFFAOYSA-N Synonym: benzenepropanal,3-phenylpropionaldehyde,hydrocinnamaldehyde,hydrocinnamic aldehyde,dihydrocinnamaldehyde,benzylacetaldehyde,3-phenyl-1-propanal,3-phenylpropylaldehyde,3-phenylpropyl aldehyde,propanal, phenyl PubChem CID: 7707 IUPAC Name: 3-phenylpropanal SMILES: C1=CC=C(C=C1)CCC=O
| PubChem CID | 7707 |
|---|---|
| CAS | 104-53-0 |
| Molecular Weight (g/mol) | 134.178 |
| SMILES | C1=CC=C(C=C1)CCC=O |
| Synonym | benzenepropanal,3-phenylpropionaldehyde,hydrocinnamaldehyde,hydrocinnamic aldehyde,dihydrocinnamaldehyde,benzylacetaldehyde,3-phenyl-1-propanal,3-phenylpropylaldehyde,3-phenylpropyl aldehyde,propanal, phenyl |
| IUPAC Name | 3-phenylpropanal |
| InChI Key | YGCZTXZTJXYWCO-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
(S)-(-)-2-Phenyl-1-propanol, 98+%
CAS: 37778-99-7 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00145249 InChI Key: RNDNSYIPLPAXAZ-MRVPVSSYSA-N Synonym: s-2-phenylpropan-1-ol,s---2-phenyl-1-propanol,--2-phenylpropanol,s-2-phenyl-1-propanol,2s-2-phenylpropan-1-ol,unii-w7q89429zo,2 s-phenyl-1-propanol,--2-phenyl-1-propanol,--beta-methylbenzeneethanol PubChem CID: 447661 IUPAC Name: (2S)-2-phenylpropan-1-ol SMILES: CC(CO)C1=CC=CC=C1
| PubChem CID | 447661 |
|---|---|
| CAS | 37778-99-7 |
| Molecular Weight (g/mol) | 136.194 |
| MDL Number | MFCD00145249 |
| SMILES | CC(CO)C1=CC=CC=C1 |
| Synonym | s-2-phenylpropan-1-ol,s---2-phenyl-1-propanol,--2-phenylpropanol,s-2-phenyl-1-propanol,2s-2-phenylpropan-1-ol,unii-w7q89429zo,2 s-phenyl-1-propanol,--2-phenyl-1-propanol,--beta-methylbenzeneethanol |
| IUPAC Name | (2S)-2-phenylpropan-1-ol |
| InChI Key | RNDNSYIPLPAXAZ-MRVPVSSYSA-N |
| Molecular Formula | C9H12O |
7-Bromo-3,4-dihydro-1,5-benzodioxepin, 96%
CAS: 147644-11-9 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00508291 InChI Key: AZCHNKNSOZJHSH-UHFFFAOYSA-N PubChem CID: 2776394 IUPAC Name: 7-bromo-3,4-dihydro-2H-1,5-benzodioxepine SMILES: C1COC2=C(C=C(C=C2)Br)OC1
| PubChem CID | 2776394 |
|---|---|
| CAS | 147644-11-9 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD00508291 |
| SMILES | C1COC2=C(C=C(C=C2)Br)OC1 |
| IUPAC Name | 7-bromo-3,4-dihydro-2H-1,5-benzodioxepine |
| InChI Key | AZCHNKNSOZJHSH-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
Sodium 2,4-pentanedionate hydrate, 94%
CAS: 86891-03-4 Molecular Formula: C5H7NaO2 Molecular Weight (g/mol): 122.10 MDL Number: MFCD00078034 InChI Key: AIWZOHBYSFSQGV-UHFFFAOYSA-M Synonym: sodium 2,4-pentanedionate,sodium 2e-4-oxopent-2-en-2-olate hydrate PubChem CID: 90476915 IUPAC Name: sodium;(E)-4-oxopent-2-en-2-olate;hydrate SMILES: [Na+].CC([O-])=CC(C)=O
| PubChem CID | 90476915 |
|---|---|
| CAS | 86891-03-4 |
| Molecular Weight (g/mol) | 122.10 |
| MDL Number | MFCD00078034 |
| SMILES | [Na+].CC([O-])=CC(C)=O |
| Synonym | sodium 2,4-pentanedionate,sodium 2e-4-oxopent-2-en-2-olate hydrate |
| IUPAC Name | sodium;(E)-4-oxopent-2-en-2-olate;hydrate |
| InChI Key | AIWZOHBYSFSQGV-UHFFFAOYSA-M |
| Molecular Formula | C5H7NaO2 |
1-Adamantanol, 99%
CAS: 768-95-6 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.237 MDL Number: MFCD00074729 InChI Key: VLLNJDMHDJRNFK-UHFFFAOYSA-N Synonym: 1-adamantanol,1-hydroxyadamantane,1-adamantol,adamantanol,tricyclo 3.3.1.1 3,7 decan-1-ol,tricyclo 3.3.1.1∼3,7∼ decan-1-ol,1-adamantanol 1-hydroxyadamantane,tricyclo 3.3.1.13,7 decan-1-ol,3r,5s,7s-adamantan-1-ol PubChem CID: 64152 IUPAC Name: adamantan-1-ol SMILES: C1C2CC3CC1CC(C2)(C3)O
| PubChem CID | 64152 |
|---|---|
| CAS | 768-95-6 |
| Molecular Weight (g/mol) | 152.237 |
| MDL Number | MFCD00074729 |
| SMILES | C1C2CC3CC1CC(C2)(C3)O |
| Synonym | 1-adamantanol,1-hydroxyadamantane,1-adamantol,adamantanol,tricyclo 3.3.1.1 3,7 decan-1-ol,tricyclo 3.3.1.1∼3,7∼ decan-1-ol,1-adamantanol 1-hydroxyadamantane,tricyclo 3.3.1.13,7 decan-1-ol,3r,5s,7s-adamantan-1-ol |
| IUPAC Name | adamantan-1-ol |
| InChI Key | VLLNJDMHDJRNFK-UHFFFAOYSA-N |
| Molecular Formula | C10H16O |
Chroman-6-carbaldehyde, 95%, Thermo Scientific™
CAS: 55745-97-6 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD08146589 InChI Key: YIHDTNNFJDJYRG-UHFFFAOYSA-N Synonym: chroman-6-carbaldehyde,chromane-6-carbaldehyde,3,4-dihydro-2h-1-benzopyran-6-carbaldehyde,chroman-6-carboxaldehyde,3,4-dihydro-2h-chromene-6-carboxaldehyde,2h-1-benzopyran-6-carboxaldehyde, 3,4-dihydro PubChem CID: 6504215 IUPAC Name: 3,4-dihydro-2H-chromene-6-carbaldehyde SMILES: C1CC2=C(C=CC(=C2)C=O)OC1
| PubChem CID | 6504215 |
|---|---|
| CAS | 55745-97-6 |
| Molecular Weight (g/mol) | 162.188 |
| MDL Number | MFCD08146589 |
| SMILES | C1CC2=C(C=CC(=C2)C=O)OC1 |
| Synonym | chroman-6-carbaldehyde,chromane-6-carbaldehyde,3,4-dihydro-2h-1-benzopyran-6-carbaldehyde,chroman-6-carboxaldehyde,3,4-dihydro-2h-chromene-6-carboxaldehyde,2h-1-benzopyran-6-carboxaldehyde, 3,4-dihydro |
| IUPAC Name | 3,4-dihydro-2H-chromene-6-carbaldehyde |
| InChI Key | YIHDTNNFJDJYRG-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
4-Chromanone, 96%
CAS: 491-37-2 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.16 MDL Number: MFCD00006840 InChI Key: MSTDXOZUKAQDRL-UHFFFAOYSA-N Synonym: 4-chromanone,chroman-4-one,chromanone,4h-1-benzopyran-4-one, 2,3-dihydro,2,3-dihydro-4h-chromen-4-one,2,3-dihydro-1-benzopyran-4-one,isochromanone,3,4-dihydro-2h-1-benzopyran-4-one,2,3-dihydro-4h-1-benzopyran-4-one,dihydrochromone PubChem CID: 68110 IUPAC Name: 2,3-dihydrochromen-4-one SMILES: C1COC2=CC=CC=C2C1=O
| PubChem CID | 68110 |
|---|---|
| CAS | 491-37-2 |
| Molecular Weight (g/mol) | 148.16 |
| MDL Number | MFCD00006840 |
| SMILES | C1COC2=CC=CC=C2C1=O |
| Synonym | 4-chromanone,chroman-4-one,chromanone,4h-1-benzopyran-4-one, 2,3-dihydro,2,3-dihydro-4h-chromen-4-one,2,3-dihydro-1-benzopyran-4-one,isochromanone,3,4-dihydro-2h-1-benzopyran-4-one,2,3-dihydro-4h-1-benzopyran-4-one,dihydrochromone |
| IUPAC Name | 2,3-dihydrochromen-4-one |
| InChI Key | MSTDXOZUKAQDRL-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
3-Methoxypyridine, 97%
CAS: 7295-76-3 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.13 MDL Number: MFCD00673022 InChI Key: UMJSCPRVCHMLSP-UHFFFAOYSA-N Synonym: pyridine, 3-methoxy,beta-methoxypyridine,3-methyoxypyridine,unii-xv2a2d8595,.beta.-methoxypyridine,3-methoxy pyridine,3-methoxypiridine,3-methoxy-pyridine,pubchem15370,acmc-209oov PubChem CID: 23719 IUPAC Name: 3-methoxypyridine SMILES: COC1=CN=CC=C1
| PubChem CID | 23719 |
|---|---|
| CAS | 7295-76-3 |
| Molecular Weight (g/mol) | 109.13 |
| MDL Number | MFCD00673022 |
| SMILES | COC1=CN=CC=C1 |
| Synonym | pyridine, 3-methoxy,beta-methoxypyridine,3-methyoxypyridine,unii-xv2a2d8595,.beta.-methoxypyridine,3-methoxy pyridine,3-methoxypiridine,3-methoxy-pyridine,pubchem15370,acmc-209oov |
| IUPAC Name | 3-methoxypyridine |
| InChI Key | UMJSCPRVCHMLSP-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO |
4-Benzoylbutyric acid, 97%
CAS: 1501-05-9 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00004411 InChI Key: SHKWSBAVRQZYLE-UHFFFAOYSA-N Synonym: 4-benzoylbutyric acid,5-oxo-5-phenylvaleric acid,benzenepentanoic acid, .delta.-oxo,4-benzoyl-butyric acid,timtec-bb sbb007811,5-oxo-5-phenyl-pentanoic acid,4-benzoylbutyric acid;4-benzoylbutanoic acid,butanoic acid, 4-benzoyl,4-benzoylbutyricacid PubChem CID: 73914 IUPAC Name: 5-oxo-5-phenylpentanoic acid SMILES: C1=CC=C(C=C1)C(=O)CCCC(=O)O
| PubChem CID | 73914 |
|---|---|
| CAS | 1501-05-9 |
| Molecular Weight (g/mol) | 192.214 |
| MDL Number | MFCD00004411 |
| SMILES | C1=CC=C(C=C1)C(=O)CCCC(=O)O |
| Synonym | 4-benzoylbutyric acid,5-oxo-5-phenylvaleric acid,benzenepentanoic acid, .delta.-oxo,4-benzoyl-butyric acid,timtec-bb sbb007811,5-oxo-5-phenyl-pentanoic acid,4-benzoylbutyric acid;4-benzoylbutanoic acid,butanoic acid, 4-benzoyl,4-benzoylbutyricacid |
| IUPAC Name | 5-oxo-5-phenylpentanoic acid |
| InChI Key | SHKWSBAVRQZYLE-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
Riboflavin, FCC, 98-102%, Spectrum™ Chemical
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CAS: 83-88-5 Molecular Formula: C17H20N4O6 Molecular Weight (g/mol): 376.37 MDL Number: MFCD00005022 InChI Key: AUNGANRZJHBGPY-QTZZOOGMNA-N IUPAC Name: 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione SMILES: CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1
| CAS | 83-88-5 |
|---|---|
| Molecular Weight (g/mol) | 376.37 |
| MDL Number | MFCD00005022 |
| SMILES | CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1 |
| IUPAC Name | 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione |
| InChI Key | AUNGANRZJHBGPY-QTZZOOGMNA-N |
| Molecular Formula | C17H20N4O6 |
Spectrum Chemical Manufacturing Corporation Polyoxyl 40 Stearate, Type II, NF, Spectrum™ Chemical
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CAS: 9004-99-3 Molecular Formula: C20H40O3 Molecular Weight (g/mol): 328.54 InChI Key: RFVNOJDQRGSOEL-UHFFFAOYSA-N IUPAC Name: 2-hydroxyethyl octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCO
| CAS | 9004-99-3 |
|---|---|
| Molecular Weight (g/mol) | 328.54 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCO |
| IUPAC Name | 2-hydroxyethyl octadecanoate |
| InChI Key | RFVNOJDQRGSOEL-UHFFFAOYSA-N |
| Molecular Formula | C20H40O3 |
L-Ascorbic Acid Crystalline MP Biomedicals
CAS: 50-81-7 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.12 MDL Number: MFCD00064328 InChI Key: CIWBSHSKHKDKBQ-DOMZIZNONA-N Synonym: l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin PubChem CID: 54670067 ChEBI: CHEBI:29073 IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one SMILES: C(C(C1C(=C(C(=O)O1)O)O)O)O
| PubChem CID | 54670067 |
|---|---|
| CAS | 50-81-7 |
| Molecular Weight (g/mol) | 176.12 |
| ChEBI | CHEBI:29073 |
| MDL Number | MFCD00064328 |
| SMILES | C(C(C1C(=C(C(=O)O1)O)O)O)O |
| Synonym | l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin |
| IUPAC Name | (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one |
| InChI Key | CIWBSHSKHKDKBQ-DOMZIZNONA-N |
| Molecular Formula | C6H8O6 |
Propylene Glycol, MP Biomedicals
CAS: 57-55-6 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.095 InChI Key: DNIAPMSPPWPWGF-UHFFFAOYSA-N Synonym: 1,2-propanediol,propylene glycol,1,2-dihydroxypropane,2-hydroxypropanol,1,2-propylene glycol,methylethyl glycol,methylethylene glycol,monopropylene glycol,isopropylene glycol,dowfrost PubChem CID: 1030 ChEBI: CHEBI:16997 IUPAC Name: propane-1,2-diol SMILES: CC(CO)O
| PubChem CID | 1030 |
|---|---|
| CAS | 57-55-6 |
| Molecular Weight (g/mol) | 76.095 |
| ChEBI | CHEBI:16997 |
| SMILES | CC(CO)O |
| Synonym | 1,2-propanediol,propylene glycol,1,2-dihydroxypropane,2-hydroxypropanol,1,2-propylene glycol,methylethyl glycol,methylethylene glycol,monopropylene glycol,isopropylene glycol,dowfrost |
| IUPAC Name | propane-1,2-diol |
| InChI Key | DNIAPMSPPWPWGF-UHFFFAOYSA-N |
| Molecular Formula | C3H8O2 |