Organooxygen compounds
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3-Pentyn-1-ol, 98%
CAS: 10229-10-4 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00002956 InChI Key: IDYNOORNKYEHHO-UHFFFAOYSA-N Synonym: 3-pentyn-1-ol,3-pentynol,acmc-1bxad PubChem CID: 66295 IUPAC Name: pent-3-yn-1-ol SMILES: CC#CCCO
| PubChem CID | 66295 |
|---|---|
| CAS | 10229-10-4 |
| Molecular Weight (g/mol) | 84.118 |
| MDL Number | MFCD00002956 |
| SMILES | CC#CCCO |
| Synonym | 3-pentyn-1-ol,3-pentynol,acmc-1bxad |
| IUPAC Name | pent-3-yn-1-ol |
| InChI Key | IDYNOORNKYEHHO-UHFFFAOYSA-N |
| Molecular Formula | C5H8O |
1-Methylcycloheptanol, 98%, Thermo Scientific Chemicals
CAS: 3761-94-2 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.215 MDL Number: MFCD00021672 InChI Key: XFFKAYOHINCUNU-UHFFFAOYSA-N Synonym: 1-methylcycloheptanol,cycloheptanol, 1-methyl,1-methylcycloheptanol-1,1-methyl-cycloheptanol,methylcycloheptanol-1,1-methyl cycloheptanol,cycloheptanol,1-methyl PubChem CID: 77376 IUPAC Name: 1-methylcycloheptan-1-ol SMILES: CC1(CCCCCC1)O
| PubChem CID | 77376 |
|---|---|
| CAS | 3761-94-2 |
| Molecular Weight (g/mol) | 128.215 |
| MDL Number | MFCD00021672 |
| SMILES | CC1(CCCCCC1)O |
| Synonym | 1-methylcycloheptanol,cycloheptanol, 1-methyl,1-methylcycloheptanol-1,1-methyl-cycloheptanol,methylcycloheptanol-1,1-methyl cycloheptanol,cycloheptanol,1-methyl |
| IUPAC Name | 1-methylcycloheptan-1-ol |
| InChI Key | XFFKAYOHINCUNU-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |
2,6-Pyridinedimethanol, 98%
CAS: 1195-59-1 Molecular Formula: C7H9NO2 Molecular Weight (g/mol): 139.154 MDL Number: MFCD00006351 InChI Key: WWFMINHWJYHXHF-UHFFFAOYSA-N Synonym: 2,6-pyridinedimethanol,pyridine-2,6-diyldimethanol,2,6-bis hydroxymethyl pyridine,6-hydroxymethyl pyridin-2-yl methanol,pyridine-2,6-dimethanol,2,6-dihydroxymethylpyridine,2,6-bis-hydroxymethyl pyridine,2,6-bis-hydroxymethyl-pyridine,2,6-pyridinyl dimethanol,6-hydroxymethyl-2-pyridyl methan-1-ol PubChem CID: 70957 IUPAC Name: [6-(hydroxymethyl)pyridin-2-yl]methanol SMILES: C1=CC(=NC(=C1)CO)CO
| PubChem CID | 70957 |
|---|---|
| CAS | 1195-59-1 |
| Molecular Weight (g/mol) | 139.154 |
| MDL Number | MFCD00006351 |
| SMILES | C1=CC(=NC(=C1)CO)CO |
| Synonym | 2,6-pyridinedimethanol,pyridine-2,6-diyldimethanol,2,6-bis hydroxymethyl pyridine,6-hydroxymethyl pyridin-2-yl methanol,pyridine-2,6-dimethanol,2,6-dihydroxymethylpyridine,2,6-bis-hydroxymethyl pyridine,2,6-bis-hydroxymethyl-pyridine,2,6-pyridinyl dimethanol,6-hydroxymethyl-2-pyridyl methan-1-ol |
| IUPAC Name | [6-(hydroxymethyl)pyridin-2-yl]methanol |
| InChI Key | WWFMINHWJYHXHF-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO2 |
Shikimic Acid, ≥98%, MP Biomedicals™
CAS: 138-59-0 Molecular Formula: C7H9O5- Molecular Weight (g/mol): 173.144 MDL Number: MFCD00066278 InChI Key: JXOHGGNKMLTUBP-HSUXUTPPSA-M Synonym: shikimic acid,shikimate,--shikimic acid,l-shikimic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-enecarboxylic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid,--shikimate,ccris 7681,unii-29ms2wi2nu,3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid PubChem CID: 7057976 ChEBI: CHEBI:36208 IUPAC Name: (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylate SMILES: C1C(C(C(C=C1C(=O)[O-])O)O)O
| PubChem CID | 7057976 |
|---|---|
| CAS | 138-59-0 |
| Molecular Weight (g/mol) | 173.144 |
| ChEBI | CHEBI:36208 |
| MDL Number | MFCD00066278 |
| SMILES | C1C(C(C(C=C1C(=O)[O-])O)O)O |
| Synonym | shikimic acid,shikimate,--shikimic acid,l-shikimic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-enecarboxylic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid,--shikimate,ccris 7681,unii-29ms2wi2nu,3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid |
| IUPAC Name | (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylate |
| InChI Key | JXOHGGNKMLTUBP-HSUXUTPPSA-M |
| Molecular Formula | C7H9O5- |
| CAS | 2325-10-2 |
|---|---|
| MDL Number | MFCD00064255 |
D-Panthenol, 98+%
CAS: 81-13-0 Molecular Formula: C9H19NO4 Molecular Weight (g/mol): 205.25 MDL Number: MFCD00065006 InChI Key: SNPLKNRPJHDVJA-ZETCQYMHSA-N Synonym: dexpanthenol,d-panthenol,pantothenol,bepanthen,d-pantothenyl alcohol,ilopan,+-panthenol,bepanthene,panthoderm,thenalton PubChem CID: 131204 ChEBI: CHEBI:27373 IUPAC Name: (2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide SMILES: CC(C)(CO)[C@@H](O)C(=O)NCCCO
| PubChem CID | 131204 |
|---|---|
| CAS | 81-13-0 |
| Molecular Weight (g/mol) | 205.25 |
| ChEBI | CHEBI:27373 |
| MDL Number | MFCD00065006 |
| SMILES | CC(C)(CO)[C@@H](O)C(=O)NCCCO |
| Synonym | dexpanthenol,d-panthenol,pantothenol,bepanthen,d-pantothenyl alcohol,ilopan,+-panthenol,bepanthene,panthoderm,thenalton |
| IUPAC Name | (2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide |
| InChI Key | SNPLKNRPJHDVJA-ZETCQYMHSA-N |
| Molecular Formula | C9H19NO4 |
Hafnium ethoxide, 99.9% (metals basis)
CAS: 13428-80-3 Molecular Formula: C8H24HfO4 Molecular Weight (g/mol): 362.766 MDL Number: MFCD00070459 InChI Key: ZSVBAHMGGMMOSD-UHFFFAOYSA-N Synonym: hafnium tetraethoxide,hafnium iv ethoxide PubChem CID: 72429791 IUPAC Name: ethanol;hafnium SMILES: CCO.CCO.CCO.CCO.[Hf]
| PubChem CID | 72429791 |
|---|---|
| CAS | 13428-80-3 |
| Molecular Weight (g/mol) | 362.766 |
| MDL Number | MFCD00070459 |
| SMILES | CCO.CCO.CCO.CCO.[Hf] |
| Synonym | hafnium tetraethoxide,hafnium iv ethoxide |
| IUPAC Name | ethanol;hafnium |
| InChI Key | ZSVBAHMGGMMOSD-UHFFFAOYSA-N |
| Molecular Formula | C8H24HfO4 |
Monothioglycerol, 95%, Spectrum™ Chemical
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CAS: 96-27-5 Molecular Formula: C3H8O2S Molecular Weight (g/mol): 108.16 MDL Number: MFCD00004879 InChI Key: PJUIMOJAAPLTRJ-UHFFFAOYNA-N IUPAC Name: 3-sulfanylpropane-1,2-diol SMILES: OCC(O)CS
| CAS | 96-27-5 |
|---|---|
| Molecular Weight (g/mol) | 108.16 |
| MDL Number | MFCD00004879 |
| SMILES | OCC(O)CS |
| IUPAC Name | 3-sulfanylpropane-1,2-diol |
| InChI Key | PJUIMOJAAPLTRJ-UHFFFAOYNA-N |
| Molecular Formula | C3H8O2S |
1-(6-Methoxy-2-naphthyl)ethanol, 98%
CAS: 77301-42-9 Molecular Formula: C13H14O2 Molecular Weight (g/mol): 202.25 MDL Number: MFCD01632581 InChI Key: OUVJWFRUESFCCY-SECBINFHSA-N Synonym: 1-6-methoxy-2-naphthyl ethanol,1-6-methoxynaphthalen-2-yl ethanol,1-6'-methoxy-2-naphthyl ethanol,+/--1-6-methoxynaphthyl ethanol,2-1-hydroxyethyl-6-methoxynaphthalene,1-6-methoxynaphthalen-2-yl ethan-1-ol,6-methoxy-alpha-methyl-2-naphthalenemethanol,1rs-1-6-methoxy-2-naphthyl ethanol naproxen impurity k,1-6-methoxy-2-naphthyl ethan-1-ol,naproxen impurity k PubChem CID: 575523 SMILES: COC1=CC=C2C=C(C=CC2=C1)[C@@H](C)O
| PubChem CID | 575523 |
|---|---|
| CAS | 77301-42-9 |
| Molecular Weight (g/mol) | 202.25 |
| MDL Number | MFCD01632581 |
| SMILES | COC1=CC=C2C=C(C=CC2=C1)[C@@H](C)O |
| Synonym | 1-6-methoxy-2-naphthyl ethanol,1-6-methoxynaphthalen-2-yl ethanol,1-6'-methoxy-2-naphthyl ethanol,+/--1-6-methoxynaphthyl ethanol,2-1-hydroxyethyl-6-methoxynaphthalene,1-6-methoxynaphthalen-2-yl ethan-1-ol,6-methoxy-alpha-methyl-2-naphthalenemethanol,1rs-1-6-methoxy-2-naphthyl ethanol naproxen impurity k,1-6-methoxy-2-naphthyl ethan-1-ol,naproxen impurity k |
| InChI Key | OUVJWFRUESFCCY-SECBINFHSA-N |
| Molecular Formula | C13H14O2 |
1-Ethynyl-1-cyclohexanol, 99+%
CAS: 78-27-3 Molecular Formula: C8H12O Molecular Weight (g/mol): 124.18 MDL Number: MFCD00003858 InChI Key: QYLFHLNFIHBCPR-UHFFFAOYSA-N Synonym: 1-ethynyl-1-cyclohexanol,1-ethynylcyclohexanol,ethynylcyclohexanol,cyclohexanol, 1-ethynyl,1-hydroxycyclohexyl ethyne,1-ethynyl-1-hydroxycyclohexane,1-ethynyl cyclohexanol,1-ethynyl-cyclohexanol,unii-6rv04025eh,1-ethynyl-cyclohexan-1-ol PubChem CID: 6525 IUPAC Name: 1-ethynylcyclohexan-1-ol SMILES: C#CC1(CCCCC1)O
| PubChem CID | 6525 |
|---|---|
| CAS | 78-27-3 |
| Molecular Weight (g/mol) | 124.18 |
| MDL Number | MFCD00003858 |
| SMILES | C#CC1(CCCCC1)O |
| Synonym | 1-ethynyl-1-cyclohexanol,1-ethynylcyclohexanol,ethynylcyclohexanol,cyclohexanol, 1-ethynyl,1-hydroxycyclohexyl ethyne,1-ethynyl-1-hydroxycyclohexane,1-ethynyl cyclohexanol,1-ethynyl-cyclohexanol,unii-6rv04025eh,1-ethynyl-cyclohexan-1-ol |
| IUPAC Name | 1-ethynylcyclohexan-1-ol |
| InChI Key | QYLFHLNFIHBCPR-UHFFFAOYSA-N |
| Molecular Formula | C8H12O |
4-Allyl-1,6-heptadien-4-ol, 99%
CAS: 10202-75-2 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.237 MDL Number: MFCD00039829 InChI Key: SUXQWOWVXDXQSE-UHFFFAOYSA-N Synonym: 4-allyl-1,6-heptadien-4-ol,triallylcarbinol,4-allylhepta-1,6-dien-4-ol,4-allyl-1,6-heptadiene-4-ol,1,6-heptadien-4-ol, 4-2-propenyl,4-prop-2-en-1-yl hepta-1,6-dien-4-ol,triallyl carbinol,acmc-1byg9,4-allyl-hepta-1,6-dien-4-ol,1,6-heptadien-4-ol,4-2-propen-1-yl PubChem CID: 139107 IUPAC Name: 4-prop-2-enylhepta-1,6-dien-4-ol SMILES: C=CCC(CC=C)(CC=C)O
| PubChem CID | 139107 |
|---|---|
| CAS | 10202-75-2 |
| Molecular Weight (g/mol) | 152.237 |
| MDL Number | MFCD00039829 |
| SMILES | C=CCC(CC=C)(CC=C)O |
| Synonym | 4-allyl-1,6-heptadien-4-ol,triallylcarbinol,4-allylhepta-1,6-dien-4-ol,4-allyl-1,6-heptadiene-4-ol,1,6-heptadien-4-ol, 4-2-propenyl,4-prop-2-en-1-yl hepta-1,6-dien-4-ol,triallyl carbinol,acmc-1byg9,4-allyl-hepta-1,6-dien-4-ol,1,6-heptadien-4-ol,4-2-propen-1-yl |
| IUPAC Name | 4-prop-2-enylhepta-1,6-dien-4-ol |
| InChI Key | SUXQWOWVXDXQSE-UHFFFAOYSA-N |
| Molecular Formula | C10H16O |
4-Hydroxy-3-methoxymandelic acid, 99%
CAS: 55-10-7 Molecular Formula: C9H9O5 Molecular Weight (g/mol): 197.17 MDL Number: MFCD00004235 InChI Key: CGQCWMIAEPEHNQ-QMMMGPOBSA-M Synonym: vanillylmandelic acid,vanilmandelic acid,dl-4-hydroxy-3-methoxymandelic acid,2-hydroxy-2-4-hydroxy-3-methoxyphenyl acetic acid,4-hydroxy-3-methoxymandelic acid,vanillomandelic acid,+/--vanillylmandelic acid,vma,alpha,4-dihydroxy-3-methoxybenzeneacetic acid,benzeneacetic acid, .alpha.,4-dihydroxy-3-methoxy PubChem CID: 1245 ChEBI: CHEBI:20106 SMILES: COC1=CC(=CC=C1O)[C@H](O)C([O-])=O
| PubChem CID | 1245 |
|---|---|
| CAS | 55-10-7 |
| Molecular Weight (g/mol) | 197.17 |
| ChEBI | CHEBI:20106 |
| MDL Number | MFCD00004235 |
| SMILES | COC1=CC(=CC=C1O)[C@H](O)C([O-])=O |
| Synonym | vanillylmandelic acid,vanilmandelic acid,dl-4-hydroxy-3-methoxymandelic acid,2-hydroxy-2-4-hydroxy-3-methoxyphenyl acetic acid,4-hydroxy-3-methoxymandelic acid,vanillomandelic acid,+/--vanillylmandelic acid,vma,alpha,4-dihydroxy-3-methoxybenzeneacetic acid,benzeneacetic acid, .alpha.,4-dihydroxy-3-methoxy |
| InChI Key | CGQCWMIAEPEHNQ-QMMMGPOBSA-M |
| Molecular Formula | C9H9O5 |
Pregnenolone, 98%, Spectrum™ Chemical
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CAS: 145-13-1
| CAS | 145-13-1 |
|---|
3-[5-(Trifluoromethyl)-1H-benzo[d]imidazol-2-yl]propan-1-ol, 97%, Thermo Scientific™
CAS: 175135-15-6 Molecular Formula: C11H11F3N2O Molecular Weight (g/mol): 244.217 MDL Number: MFCD00067735 InChI Key: FDRMNTVCDKSRNL-UHFFFAOYSA-N Synonym: 3-5-trifluoromethyl-1h-benzo d imidazol-2-yl propan-1-ol,2-3-hydroxy-1-propyl-5-trifluoromethyl benzimidazole,3-5-trifluoromethyl-1h-1,3-benzodiazol-2-yl propan-1-ol,2-3-hydroxy-n-propyl-5-trifluoromethyl-benzimidazole,3-6-trifluoromethyl-1h-benzimidazol-2-yl propan-1-ol,2-3-hydroxypropyl-5-trifluoromethyl benzimidazole,2-3-hydroxy-n-propyl-5-trifluoromethyl benzimidazole,2-3-hydroxypropyl-5-trifluoromethyl-1h-benzimidazole,3-6-trifluoromethyl-1h-benzo d imidazol-2-yl propan-1-ol PubChem CID: 2775098 IUPAC Name: 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol SMILES: C1=CC2=C(C=C1C(F)(F)F)NC(=N2)CCCO
| PubChem CID | 2775098 |
|---|---|
| CAS | 175135-15-6 |
| Molecular Weight (g/mol) | 244.217 |
| MDL Number | MFCD00067735 |
| SMILES | C1=CC2=C(C=C1C(F)(F)F)NC(=N2)CCCO |
| Synonym | 3-5-trifluoromethyl-1h-benzo d imidazol-2-yl propan-1-ol,2-3-hydroxy-1-propyl-5-trifluoromethyl benzimidazole,3-5-trifluoromethyl-1h-1,3-benzodiazol-2-yl propan-1-ol,2-3-hydroxy-n-propyl-5-trifluoromethyl-benzimidazole,3-6-trifluoromethyl-1h-benzimidazol-2-yl propan-1-ol,2-3-hydroxypropyl-5-trifluoromethyl benzimidazole,2-3-hydroxy-n-propyl-5-trifluoromethyl benzimidazole,2-3-hydroxypropyl-5-trifluoromethyl-1h-benzimidazole,3-6-trifluoromethyl-1h-benzo d imidazol-2-yl propan-1-ol |
| IUPAC Name | 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol |
| InChI Key | FDRMNTVCDKSRNL-UHFFFAOYSA-N |
| Molecular Formula | C11H11F3N2O |
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 |