Organooxygen compounds
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Cholesterol, NF, 95-102%, Spectrum™ Chemical
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CAS: 57-88-5 Molecular Formula: C27H46O Molecular Weight (g/mol): 386.66 InChI Key: HVYWMOMLDIMFJA-DPAQBDIFSA-N IUPAC Name: (1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
| CAS | 57-88-5 |
|---|---|
| Molecular Weight (g/mol) | 386.66 |
| SMILES | CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
| IUPAC Name | (1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol |
| InChI Key | HVYWMOMLDIMFJA-DPAQBDIFSA-N |
| Molecular Formula | C27H46O |
Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)calcium(II), 99.99% (metals basis)
CAS: 118448-18-3 Molecular Formula: C22H38CaO4 Molecular Weight (g/mol): 406.62 MDL Number: MFCD00064757 InChI Key: DOOFPPIHJGRIGW-OLHSYEKISA-L Synonym: ca tmhd 2,calcium bis dipivaloylmethanate,bis 2,2,6,6-tetramethyl-3,5-heptanedionato calcium PubChem CID: 14598209 IUPAC Name: calcium;(Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate;(E)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate SMILES: CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].[Ca+2]
| PubChem CID | 14598209 |
|---|---|
| CAS | 118448-18-3 |
| Molecular Weight (g/mol) | 406.62 |
| MDL Number | MFCD00064757 |
| SMILES | CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].[Ca+2] |
| Synonym | ca tmhd 2,calcium bis dipivaloylmethanate,bis 2,2,6,6-tetramethyl-3,5-heptanedionato calcium |
| IUPAC Name | calcium;(Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate;(E)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate |
| InChI Key | DOOFPPIHJGRIGW-OLHSYEKISA-L |
| Molecular Formula | C22H38CaO4 |
Isovanillin, Spectrum™ Chemical
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CAS: 621-59-0
| CAS | 621-59-0 |
|---|
2-Acetyl-4-chlorothiophene, 98+%
CAS: 34730-20-6 Molecular Formula: C6H5ClOS Molecular Weight (g/mol): 160.62 MDL Number: MFCD00082791 InChI Key: FKESGQASARHBDC-UHFFFAOYSA-N PubChem CID: 11105655 IUPAC Name: 1-(4-chlorothiophen-2-yl)ethanone SMILES: CC(=O)C1=CC(Cl)=CS1
| PubChem CID | 11105655 |
|---|---|
| CAS | 34730-20-6 |
| Molecular Weight (g/mol) | 160.62 |
| MDL Number | MFCD00082791 |
| SMILES | CC(=O)C1=CC(Cl)=CS1 |
| IUPAC Name | 1-(4-chlorothiophen-2-yl)ethanone |
| InChI Key | FKESGQASARHBDC-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClOS |
2-Mercaptoethanol, >98%, MP Biomedicals™
CAS: 60-24-2 Molecular Formula: C2H6OS Molecular Weight (g/mol): 78.13 MDL Number: MFCD00004890 InChI Key: DGVVWUTYPXICAM-UHFFFAOYSA-N Synonym: 2-mercaptoethanol,mercaptoethanol,thioglycol,beta-mercaptoethanol,ethanol, 2-mercapto,2-thioethanol,2-hydroxy-1-ethanethiol,thioethylene glycol,2-hydroxyethanethiol,2-hydroxyethyl mercaptan PubChem CID: 1567 ChEBI: CHEBI:41218 IUPAC Name: 2-sulfanylethanol SMILES: OCCS
| PubChem CID | 1567 |
|---|---|
| CAS | 60-24-2 |
| Molecular Weight (g/mol) | 78.13 |
| ChEBI | CHEBI:41218 |
| MDL Number | MFCD00004890 |
| SMILES | OCCS |
| Synonym | 2-mercaptoethanol,mercaptoethanol,thioglycol,beta-mercaptoethanol,ethanol, 2-mercapto,2-thioethanol,2-hydroxy-1-ethanethiol,thioethylene glycol,2-hydroxyethanethiol,2-hydroxyethyl mercaptan |
| IUPAC Name | 2-sulfanylethanol |
| InChI Key | DGVVWUTYPXICAM-UHFFFAOYSA-N |
| Molecular Formula | C2H6OS |
2-(Hydroxymethyl)pyridine-5-boronic acid, 97%
CAS: 913835-98-0 Molecular Formula: C6H8BNO3 Molecular Weight (g/mol): 152.944 MDL Number: MFCD09027230 InChI Key: MSUQKXAJTUAESD-UHFFFAOYSA-N Synonym: 6-hydroxymethyl pyridin-3-yl boronic acid,6-hydroxymethyl pyridine-3-boronic acid,2-hydroxymethyl pyridine-5-boronic acid,6-hydroxymethyl pyridin-3-ylboronic acid,boronicacid, b-6-hydroxymethyl-3-pyridinyl,5-boronopyridin-2-yl methanol,6-hydroxymethyl-3-pyridineboronic acid,acmc-209raj,6-hydroxymethyl-3-pyridyl boronic acid PubChem CID: 44118255 IUPAC Name: [6-(hydroxymethyl)pyridin-3-yl]boronic acid SMILES: B(C1=CN=C(C=C1)CO)(O)O
| PubChem CID | 44118255 |
|---|---|
| CAS | 913835-98-0 |
| Molecular Weight (g/mol) | 152.944 |
| MDL Number | MFCD09027230 |
| SMILES | B(C1=CN=C(C=C1)CO)(O)O |
| Synonym | 6-hydroxymethyl pyridin-3-yl boronic acid,6-hydroxymethyl pyridine-3-boronic acid,2-hydroxymethyl pyridine-5-boronic acid,6-hydroxymethyl pyridin-3-ylboronic acid,boronicacid, b-6-hydroxymethyl-3-pyridinyl,5-boronopyridin-2-yl methanol,6-hydroxymethyl-3-pyridineboronic acid,acmc-209raj,6-hydroxymethyl-3-pyridyl boronic acid |
| IUPAC Name | [6-(hydroxymethyl)pyridin-3-yl]boronic acid |
| InChI Key | MSUQKXAJTUAESD-UHFFFAOYSA-N |
| Molecular Formula | C6H8BNO3 |
D-Myo-inositol, 99.26%, For HPLC analysis, MP Biomedicals™
CAS: 87-89-8 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 InChI Key: CDAISMWEOUEBRE-UHFFFAOYSA-N Synonym: scyllo-inositol,myo-inositol,inositol,muco-inositol,epi-inositol,i-inositol,meso-inositol,allo-inositol,1d-chiro-inositol,myoinositol PubChem CID: 892 ChEBI: CHEBI:24848 IUPAC Name: cyclohexane-1,2,3,4,5,6-hexol SMILES: C1(C(C(C(C(C1O)O)O)O)O)O
| PubChem CID | 892 |
|---|---|
| CAS | 87-89-8 |
| Molecular Weight (g/mol) | 180.156 |
| ChEBI | CHEBI:24848 |
| SMILES | C1(C(C(C(C(C1O)O)O)O)O)O |
| Synonym | scyllo-inositol,myo-inositol,inositol,muco-inositol,epi-inositol,i-inositol,meso-inositol,allo-inositol,1d-chiro-inositol,myoinositol |
| IUPAC Name | cyclohexane-1,2,3,4,5,6-hexol |
| InChI Key | CDAISMWEOUEBRE-UHFFFAOYSA-N |
| Molecular Formula | C6H12O6 |
4-Bromo-2-furaldehyde, 97%
CAS: 21921-76-6 Molecular Formula: C5H3BrO2 Molecular Weight (g/mol): 174.98 InChI Key: MRGBBKQOSUHKPF-UHFFFAOYSA-N Synonym: 4-bromo-2-furaldehyde,4-bromofurfural,4-bromo-2-formylfuran,4-bromo-2-furancarbaldehyde,2-furancarboxaldehyde, 4-bromo,4-bromo-furfural,4-bromofuraldehyde,zlchem 82,pubchem3545,acmc-209fpi PubChem CID: 2757010 IUPAC Name: 4-bromofuran-2-carbaldehyde SMILES: C1=C(OC=C1Br)C=O
| PubChem CID | 2757010 |
|---|---|
| CAS | 21921-76-6 |
| Molecular Weight (g/mol) | 174.98 |
| SMILES | C1=C(OC=C1Br)C=O |
| Synonym | 4-bromo-2-furaldehyde,4-bromofurfural,4-bromo-2-formylfuran,4-bromo-2-furancarbaldehyde,2-furancarboxaldehyde, 4-bromo,4-bromo-furfural,4-bromofuraldehyde,zlchem 82,pubchem3545,acmc-209fpi |
| IUPAC Name | 4-bromofuran-2-carbaldehyde |
| InChI Key | MRGBBKQOSUHKPF-UHFFFAOYSA-N |
| Molecular Formula | C5H3BrO2 |
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 |
3-Benzoylpyridine, 98+%
CAS: 5424-19-1 Molecular Formula: C12H9NO Molecular Weight (g/mol): 183.21 MDL Number: MFCD00006394 InChI Key: RYMBAPVTUHZCNF-UHFFFAOYSA-N Synonym: 3-benzoylpyridine,phenyl pyridin-3-yl methanone,phenyl 3-pyridyl ketone,methanone, phenyl-3-pyridinyl,pyridine, 3-benzoyl,3-pyridyl phenyl ketone,ketone, phenyl 3-pyridyl,3-benzoyl pyridine,phenyl-b-pyridyl ketone,phenyl 3-pyridinyl methanone PubChem CID: 21540 IUPAC Name: phenyl(pyridin-3-yl)methanone SMILES: C1=CC=C(C=C1)C(=O)C2=CN=CC=C2
| PubChem CID | 21540 |
|---|---|
| CAS | 5424-19-1 |
| Molecular Weight (g/mol) | 183.21 |
| MDL Number | MFCD00006394 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CN=CC=C2 |
| Synonym | 3-benzoylpyridine,phenyl pyridin-3-yl methanone,phenyl 3-pyridyl ketone,methanone, phenyl-3-pyridinyl,pyridine, 3-benzoyl,3-pyridyl phenyl ketone,ketone, phenyl 3-pyridyl,3-benzoyl pyridine,phenyl-b-pyridyl ketone,phenyl 3-pyridinyl methanone |
| IUPAC Name | phenyl(pyridin-3-yl)methanone |
| InChI Key | RYMBAPVTUHZCNF-UHFFFAOYSA-N |
| Molecular Formula | C12H9NO |
3,5-Difluoro-4-hydroxybenzaldehyde, 97%
CAS: 118276-06-5 Molecular Formula: C7H4F2O2 Molecular Weight (g/mol): 158.104 MDL Number: MFCD06797917 InChI Key: SKOYTQILPMNZQO-UHFFFAOYSA-N Synonym: 3,5-difluoro-4-hydroxy-benzaldehyde,4-hydroxy-3,5-difluorobenzaldehyde,benzaldehyde, 3,5-difluoro-4-hydroxy,pubchem17015,acmc-1c2v9,ksc495m7b,benzaldehyde, 3,5-difluoro-4-hydroxy-9ci,s-3-hydroxy-1-hydroxymethylpropyl carbamic acid benzyl ester PubChem CID: 10192584 IUPAC Name: 3,5-difluoro-4-hydroxybenzaldehyde SMILES: C1=C(C=C(C(=C1F)O)F)C=O
| PubChem CID | 10192584 |
|---|---|
| CAS | 118276-06-5 |
| Molecular Weight (g/mol) | 158.104 |
| MDL Number | MFCD06797917 |
| SMILES | C1=C(C=C(C(=C1F)O)F)C=O |
| Synonym | 3,5-difluoro-4-hydroxy-benzaldehyde,4-hydroxy-3,5-difluorobenzaldehyde,benzaldehyde, 3,5-difluoro-4-hydroxy,pubchem17015,acmc-1c2v9,ksc495m7b,benzaldehyde, 3,5-difluoro-4-hydroxy-9ci,s-3-hydroxy-1-hydroxymethylpropyl carbamic acid benzyl ester |
| IUPAC Name | 3,5-difluoro-4-hydroxybenzaldehyde |
| InChI Key | SKOYTQILPMNZQO-UHFFFAOYSA-N |
| Molecular Formula | C7H4F2O2 |
5-(Trifluoromethyl)pyridine-2-carboxaldehyde, 95%
CAS: 31224-82-5 Molecular Formula: C7H4F3NO Molecular Weight (g/mol): 175.11 MDL Number: MFCD07375388 InChI Key: JJDDVGAESNBKMY-UHFFFAOYSA-N Synonym: 5-trifluoromethyl picolinaldehyde,5-trifluoromethyl-2-pyridinecarboxyaldehyde,5-trifluoromethyl-pyridine-2-carbaldehyde,5-trifluoromethyl pyridine-2-carboxaldehyde,5-trifluoromethyl pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde,5-trifluoromethyl,5-trifluoromethylpicolinealdehyde,5-trifluoromethylpicoline aldehyde,5-trifluoromethyl-pyridine-2-carboxaldehyde,2-pyridinecarboxaldehyde, 5-trifluoromethyl PubChem CID: 14422792 IUPAC Name: 5-(trifluoromethyl)pyridine-2-carbaldehyde SMILES: C1=CC(=NC=C1C(F)(F)F)C=O
| PubChem CID | 14422792 |
|---|---|
| CAS | 31224-82-5 |
| Molecular Weight (g/mol) | 175.11 |
| MDL Number | MFCD07375388 |
| SMILES | C1=CC(=NC=C1C(F)(F)F)C=O |
| Synonym | 5-trifluoromethyl picolinaldehyde,5-trifluoromethyl-2-pyridinecarboxyaldehyde,5-trifluoromethyl-pyridine-2-carbaldehyde,5-trifluoromethyl pyridine-2-carboxaldehyde,5-trifluoromethyl pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde,5-trifluoromethyl,5-trifluoromethylpicolinealdehyde,5-trifluoromethylpicoline aldehyde,5-trifluoromethyl-pyridine-2-carboxaldehyde,2-pyridinecarboxaldehyde, 5-trifluoromethyl |
| IUPAC Name | 5-(trifluoromethyl)pyridine-2-carbaldehyde |
| InChI Key | JJDDVGAESNBKMY-UHFFFAOYSA-N |
| Molecular Formula | C7H4F3NO |
5-Norbornen-2-ol, mixture of endo and exo, 98+%
CAS: 13080-90-5 Molecular Formula: C7H10O Molecular Weight (g/mol): 110.156 MDL Number: MFCD00167566 InChI Key: MKOSBHNWXFSHSW-UHFFFAOYSA-N Synonym: 5-norbornene-2-ol,bicyclo 2.2.1 hept-5-en-2-ol,5-norbornen-2-ol,5-norbornen-2-ol, exo,exo-2-norbornenol,bicyclo 2.2.1 hept-2-en-5-ol,bicyclo 2.2.1 hept-5-en-2-ol, exo,5-norbornen-2-ol exo PubChem CID: 96066 IUPAC Name: bicyclo[2.2.1]hept-2-en-5-ol SMILES: C1C2CC(C1C=C2)O
| PubChem CID | 96066 |
|---|---|
| CAS | 13080-90-5 |
| Molecular Weight (g/mol) | 110.156 |
| MDL Number | MFCD00167566 |
| SMILES | C1C2CC(C1C=C2)O |
| Synonym | 5-norbornene-2-ol,bicyclo 2.2.1 hept-5-en-2-ol,5-norbornen-2-ol,5-norbornen-2-ol, exo,exo-2-norbornenol,bicyclo 2.2.1 hept-2-en-5-ol,bicyclo 2.2.1 hept-5-en-2-ol, exo,5-norbornen-2-ol exo |
| IUPAC Name | bicyclo[2.2.1]hept-2-en-5-ol |
| InChI Key | MKOSBHNWXFSHSW-UHFFFAOYSA-N |
| Molecular Formula | C7H10O |
5-Benzyloxyindole, 94%, may contain up to ca 7% toluene
CAS: 1215-59-4 Molecular Formula: C15H13NO Molecular Weight (g/mol): 223.275 MDL Number: MFCD00005676 InChI Key: JCQLPDZCNSVBMS-UHFFFAOYSA-N Synonym: 5-benzyloxyindole,5-benzyloxy-1h-indole,1h-indole, 5-phenylmethoxy,benzyloxy-5 indole,indole, 5-benzyloxy,5-benzyloxy indole,unii-yci4z02e1c PubChem CID: 14624 IUPAC Name: 5-phenylmethoxy-1H-indole SMILES: C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3
| PubChem CID | 14624 |
|---|---|
| CAS | 1215-59-4 |
| Molecular Weight (g/mol) | 223.275 |
| MDL Number | MFCD00005676 |
| SMILES | C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3 |
| Synonym | 5-benzyloxyindole,5-benzyloxy-1h-indole,1h-indole, 5-phenylmethoxy,benzyloxy-5 indole,indole, 5-benzyloxy,5-benzyloxy indole,unii-yci4z02e1c |
| IUPAC Name | 5-phenylmethoxy-1H-indole |
| InChI Key | JCQLPDZCNSVBMS-UHFFFAOYSA-N |
| Molecular Formula | C15H13NO |
3-Bromo-2-ethoxypyridine, 95%, Thermo Scientific Chemicals
CAS: 57883-25-7 Molecular Formula: C7H8BrNO Molecular Weight (g/mol): 202.051 MDL Number: MFCD00234309 InChI Key: KLQBFCAXXZMOLZ-UHFFFAOYSA-N PubChem CID: 10987308 IUPAC Name: 3-bromo-2-ethoxypyridine SMILES: CCOC1=C(C=CC=N1)Br
| PubChem CID | 10987308 |
|---|---|
| CAS | 57883-25-7 |
| Molecular Weight (g/mol) | 202.051 |
| MDL Number | MFCD00234309 |
| SMILES | CCOC1=C(C=CC=N1)Br |
| IUPAC Name | 3-bromo-2-ethoxypyridine |
| InChI Key | KLQBFCAXXZMOLZ-UHFFFAOYSA-N |
| Molecular Formula | C7H8BrNO |