Organooxygen compounds
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Thermo Scientific Chemicals Inositol, 98+%
CAS: 87-89-8 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00077932 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 |
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CAS | 87-89-8 |
Molecular Weight (g/mol) | 180.16 |
ChEBI | CHEBI:24848 |
MDL Number | MFCD00077932 |
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 |
Isobutyraldehyde, 99+%
CAS: 78-84-2 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.11 MDL Number: MFCD00006980 InChI Key: AMIMRNSIRUDHCM-UHFFFAOYSA-N Synonym: isobutyraldehyde,isobutanal,isobutylaldehyde,propanal, 2-methyl,2-methylpropionaldehyde,isobutyric aldehyde,valine aldehyde,isopropylaldehyde,2-methyl-1-propanal,isobutaldehyde PubChem CID: 6561 ChEBI: CHEBI:48943 IUPAC Name: 2-methylpropanal SMILES: CC(C)C=O
PubChem CID | 6561 |
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CAS | 78-84-2 |
Molecular Weight (g/mol) | 72.11 |
ChEBI | CHEBI:48943 |
MDL Number | MFCD00006980 |
SMILES | CC(C)C=O |
Synonym | isobutyraldehyde,isobutanal,isobutylaldehyde,propanal, 2-methyl,2-methylpropionaldehyde,isobutyric aldehyde,valine aldehyde,isopropylaldehyde,2-methyl-1-propanal,isobutaldehyde |
IUPAC Name | 2-methylpropanal |
InChI Key | AMIMRNSIRUDHCM-UHFFFAOYSA-N |
Molecular Formula | C4H8O |
1,2-Pentanediol, 96%
CAS: 5343-92-0 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00010736 InChI Key: WCVRQHFDJLLWFE-UHFFFAOYNA-N Synonym: 1,2-pentanediol,1,2-dihydroxypentane,1,2-pentanediol, 2r,acmc-20mbh5,acmc-1axdb,3-01-00-02191 beilstein handbook reference,ksc271i3n,wcvrqhfdjllwfe-uhfffaoysa PubChem CID: 93000 IUPAC Name: pentane-1,2-diol SMILES: CCCC(O)CO
PubChem CID | 93000 |
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CAS | 5343-92-0 |
Molecular Weight (g/mol) | 104.15 |
MDL Number | MFCD00010736 |
SMILES | CCCC(O)CO |
Synonym | 1,2-pentanediol,1,2-dihydroxypentane,1,2-pentanediol, 2r,acmc-20mbh5,acmc-1axdb,3-01-00-02191 beilstein handbook reference,ksc271i3n,wcvrqhfdjllwfe-uhfffaoysa |
IUPAC Name | pentane-1,2-diol |
InChI Key | WCVRQHFDJLLWFE-UHFFFAOYNA-N |
Molecular Formula | C5H12O2 |
Isochroman, 99%
CAS: 493-05-0 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00006913 InChI Key: HEBMCVBCEDMUOF-UHFFFAOYSA-N Synonym: isochroman,isochromane,3,4-dihydro-1h-2-benzopyran,1h-2-benzopyran, 3,4-dihydro,3,4-dihydro-1h-benzo c pyran,pubchem20553,acmc-209kfu,isochroman 10g,ksc237m1l PubChem CID: 96266 ChEBI: CHEBI:33225 IUPAC Name: 3,4-dihydro-1H-isochromene SMILES: C1CC2=CC=CC=C2CO1
PubChem CID | 96266 |
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CAS | 493-05-0 |
Molecular Weight (g/mol) | 134.18 |
ChEBI | CHEBI:33225 |
MDL Number | MFCD00006913 |
SMILES | C1CC2=CC=CC=C2CO1 |
Synonym | isochroman,isochromane,3,4-dihydro-1h-2-benzopyran,1h-2-benzopyran, 3,4-dihydro,3,4-dihydro-1h-benzo c pyran,pubchem20553,acmc-209kfu,isochroman 10g,ksc237m1l |
IUPAC Name | 3,4-dihydro-1H-isochromene |
InChI Key | HEBMCVBCEDMUOF-UHFFFAOYSA-N |
Molecular Formula | C9H10O |
Triethylene glycol dimethyl ether, 99%, stabilized
CAS: 112-49-2 Molecular Formula: C8H18O4 Molecular Weight (g/mol): 178.23 MDL Number: MFCD00008504 InChI Key: YFNKIDBQEZZDLK-UHFFFAOYSA-N Synonym: triglyme,triethylene glycol dimethyl ether,2,5,8,11-tetraoxadodecane,1,2-bis 2-methoxyethoxy ethane,glyme 4,ansul ether 161,glyme-3,tegdime,tegdme,unii-32yxg88kk0 PubChem CID: 8189 ChEBI: CHEBI:44842 IUPAC Name: 1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane SMILES: COCCOCCOCCOC
PubChem CID | 8189 |
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CAS | 112-49-2 |
Molecular Weight (g/mol) | 178.23 |
ChEBI | CHEBI:44842 |
MDL Number | MFCD00008504 |
SMILES | COCCOCCOCCOC |
Synonym | triglyme,triethylene glycol dimethyl ether,2,5,8,11-tetraoxadodecane,1,2-bis 2-methoxyethoxy ethane,glyme 4,ansul ether 161,glyme-3,tegdime,tegdme,unii-32yxg88kk0 |
IUPAC Name | 1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane |
InChI Key | YFNKIDBQEZZDLK-UHFFFAOYSA-N |
Molecular Formula | C8H18O4 |
Ascorbic acid, 99.0%, ACS Grade, MilliporeSigma™

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: (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one SMILES: OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
PubChem CID | 54670067 |
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CAS | 50-81-7 |
Molecular Weight (g/mol) | 176.12 |
ChEBI | CHEBI:29073 |
MDL Number | MFCD00064328 |
SMILES | OC[C@H](O)[C@H]1OC(=O)C(O)=C1O |
Synonym | l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin |
IUPAC Name | (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one |
InChI Key | CIWBSHSKHKDKBQ-DOMZIZNONA-N |
Molecular Formula | C6H8O6 |
(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methanol, ≥97%, Thermo Scientific™
CAS: 58789-53-0 Molecular Formula: C12H14N2O Molecular Weight (g/mol): 202.257 MDL Number: MFCD06202725 InChI Key: JMWWSNPRAOYPSF-UHFFFAOYSA-N Synonym: 3,5-dimethyl-1-phenyl-1h-pyrazol-4-yl methanol,3,5-dimethyl-1-phenylpyrazol-4-yl methanol,1h-pyrazole-4-methanol,3,5-dimethyl-1-phenyl,3,5-dimethyl-1-phenylpyrazol-4-yl methan-1-ol PubChem CID: 2526674 IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methanol SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)CO
PubChem CID | 2526674 |
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CAS | 58789-53-0 |
Molecular Weight (g/mol) | 202.257 |
MDL Number | MFCD06202725 |
SMILES | CC1=C(C(=NN1C2=CC=CC=C2)C)CO |
Synonym | 3,5-dimethyl-1-phenyl-1h-pyrazol-4-yl methanol,3,5-dimethyl-1-phenylpyrazol-4-yl methanol,1h-pyrazole-4-methanol,3,5-dimethyl-1-phenyl,3,5-dimethyl-1-phenylpyrazol-4-yl methan-1-ol |
IUPAC Name | (3,5-dimethyl-1-phenylpyrazol-4-yl)methanol |
InChI Key | JMWWSNPRAOYPSF-UHFFFAOYSA-N |
Molecular Formula | C12H14N2O |
2,3-Dihydrothieno[3,4-b][1,4]dioxine-5-carbonitrile, ≥95%, Thermo Scientific™
CAS: 859851-02-8 Molecular Formula: C7H5NO2S Molecular Weight (g/mol): 167.18 MDL Number: MFCD08060540 InChI Key: HSQAPDOVCIFQCU-UHFFFAOYSA-N Synonym: 2,3-dihydrothieno 3,4-b 1,4 dioxine-5-carbonitrile,2h,3h-thieno 3,4-b 1,4 dioxine-5-carbonitrile,thieno 3,4-b-1,4-dioxin-5-carbonitrile,2,3-dihydro,2h,3h-thiopheno 3,4-e 1,4-dioxane-5-carbonitrile PubChem CID: 7537659 IUPAC Name: 2H,3H-thieno[3,4-b][1,4]dioxine-5-carbonitrile SMILES: N#CC1=C2OCCOC2=CS1
PubChem CID | 7537659 |
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CAS | 859851-02-8 |
Molecular Weight (g/mol) | 167.18 |
MDL Number | MFCD08060540 |
SMILES | N#CC1=C2OCCOC2=CS1 |
Synonym | 2,3-dihydrothieno 3,4-b 1,4 dioxine-5-carbonitrile,2h,3h-thieno 3,4-b 1,4 dioxine-5-carbonitrile,thieno 3,4-b-1,4-dioxin-5-carbonitrile,2,3-dihydro,2h,3h-thiopheno 3,4-e 1,4-dioxane-5-carbonitrile |
IUPAC Name | 2H,3H-thieno[3,4-b][1,4]dioxine-5-carbonitrile |
InChI Key | HSQAPDOVCIFQCU-UHFFFAOYSA-N |
Molecular Formula | C7H5NO2S |
5-(Bromoacetyl)-2-oxoindoline, 97%, Thermo Scientific™
CAS: 105316-98-1 Molecular Formula: C10H8BrNO2 Molecular Weight (g/mol): 254.083 MDL Number: MFCD08690294 InChI Key: WHLZVVMOQHTDAX-UHFFFAOYSA-N Synonym: 5-bromoacetyl-2-oxoindoline,5-2-bromoacetyl indolin-2-one,5-bromoacetyl-1,3-dihydro-2h-indol-2-one,5-2-bromoacetyl-1,3-dihydroindol-2-one,2h-indol-2-one,5-2-bromoacetyl-1,3-dihydro,5-bromoacetyloxindole,acmc-20a59p,5-alpha-bromoacetyl oxindole,5-2-bromoacetyl-2-indolinone,2h-indol-2-one, 5-bromoacetyl-1,3-dihydro PubChem CID: 22099309 IUPAC Name: 5-(2-bromoacetyl)-1,3-dihydroindol-2-one SMILES: C1C2=C(C=CC(=C2)C(=O)CBr)NC1=O
PubChem CID | 22099309 |
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CAS | 105316-98-1 |
Molecular Weight (g/mol) | 254.083 |
MDL Number | MFCD08690294 |
SMILES | C1C2=C(C=CC(=C2)C(=O)CBr)NC1=O |
Synonym | 5-bromoacetyl-2-oxoindoline,5-2-bromoacetyl indolin-2-one,5-bromoacetyl-1,3-dihydro-2h-indol-2-one,5-2-bromoacetyl-1,3-dihydroindol-2-one,2h-indol-2-one,5-2-bromoacetyl-1,3-dihydro,5-bromoacetyloxindole,acmc-20a59p,5-alpha-bromoacetyl oxindole,5-2-bromoacetyl-2-indolinone,2h-indol-2-one, 5-bromoacetyl-1,3-dihydro |
IUPAC Name | 5-(2-bromoacetyl)-1,3-dihydroindol-2-one |
InChI Key | WHLZVVMOQHTDAX-UHFFFAOYSA-N |
Molecular Formula | C10H8BrNO2 |
2-(Pyrid-2-yloxy)benzaldehyde, 97%, Thermo Scientific™
CAS: 141580-71-4 Molecular Formula: C12H9NO2 Molecular Weight (g/mol): 199.21 MDL Number: MFCD09025852 InChI Key: QCKZHTQRJYCZTD-UHFFFAOYSA-N Synonym: 2-pyrid-2-yloxy benzaldehyde,2-pyridin-2-yloxy benzaldehyde,2-2-pyridyloxy benzaldehyde,benzaldehyde,2-2-pyridinyloxy,2-pyridin-2-yl oxy benzaldehyde,acmc-1c27b PubChem CID: 19068727 SMILES: O=CC1=CC=CC=C1OC1=CC=CC=N1
PubChem CID | 19068727 |
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CAS | 141580-71-4 |
Molecular Weight (g/mol) | 199.21 |
MDL Number | MFCD09025852 |
SMILES | O=CC1=CC=CC=C1OC1=CC=CC=N1 |
Synonym | 2-pyrid-2-yloxy benzaldehyde,2-pyridin-2-yloxy benzaldehyde,2-2-pyridyloxy benzaldehyde,benzaldehyde,2-2-pyridinyloxy,2-pyridin-2-yl oxy benzaldehyde,acmc-1c27b |
InChI Key | QCKZHTQRJYCZTD-UHFFFAOYSA-N |
Molecular Formula | C12H9NO2 |
2-[2-(Dimethylamino)ethoxy]benzaldehyde, ≥97%, Thermo Scientific™
CAS: 15182-06-6 Molecular Formula: C11H15NO2 Molecular Weight (g/mol): 193.246 MDL Number: MFCD08146610 InChI Key: TWMYSXRSVLFCGX-UHFFFAOYSA-N PubChem CID: 6504241 IUPAC Name: 2-[2-(dimethylamino)ethoxy]benzaldehyde SMILES: CN(C)CCOC1=CC=CC=C1C=O
PubChem CID | 6504241 |
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CAS | 15182-06-6 |
Molecular Weight (g/mol) | 193.246 |
MDL Number | MFCD08146610 |
SMILES | CN(C)CCOC1=CC=CC=C1C=O |
IUPAC Name | 2-[2-(dimethylamino)ethoxy]benzaldehyde |
InChI Key | TWMYSXRSVLFCGX-UHFFFAOYSA-N |
Molecular Formula | C11H15NO2 |
2-Bromo-1-(2-chloropyridin-4-yl)ethanone, 95%, Thermo Scientific™
CAS: 23794-16-3 Molecular Formula: C7H5BrClNO Molecular Weight (g/mol): 234.477 MDL Number: MFCD09702373 InChI Key: BZWBRLWSWBQIBX-UHFFFAOYSA-N Synonym: 2-bromo-1-2-chloropyridin-4-yl ethanone,2-bromo-1-2-chloro-4-pyridyl ethanone,2-bromo-1-2-chloropyridin-4-yl ethan-1-one,2-bromo-1-2-chloro-4-pyridinyl ethanone,2-bromo-1-2-chloro-pyridin-4-yl-ethanone,2-chloro-4-bromoacetylpyridine,2-bromo-1-2-chloro-pyridin-4-yl ethanone,ethanone,2-bromo-1-2-chloro-4-pyridinyl,2-bromo-1-2-chloro 4-pyridyl ethan-1-one,2-bromanyl-1-2-chloranylpyridin-4-yl ethanone PubChem CID: 16720431 IUPAC Name: 2-bromo-1-(2-chloropyridin-4-yl)ethanone SMILES: C1=CN=C(C=C1C(=O)CBr)Cl
PubChem CID | 16720431 |
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CAS | 23794-16-3 |
Molecular Weight (g/mol) | 234.477 |
MDL Number | MFCD09702373 |
SMILES | C1=CN=C(C=C1C(=O)CBr)Cl |
Synonym | 2-bromo-1-2-chloropyridin-4-yl ethanone,2-bromo-1-2-chloro-4-pyridyl ethanone,2-bromo-1-2-chloropyridin-4-yl ethan-1-one,2-bromo-1-2-chloro-4-pyridinyl ethanone,2-bromo-1-2-chloro-pyridin-4-yl-ethanone,2-chloro-4-bromoacetylpyridine,2-bromo-1-2-chloro-pyridin-4-yl ethanone,ethanone,2-bromo-1-2-chloro-4-pyridinyl,2-bromo-1-2-chloro 4-pyridyl ethan-1-one,2-bromanyl-1-2-chloranylpyridin-4-yl ethanone |
IUPAC Name | 2-bromo-1-(2-chloropyridin-4-yl)ethanone |
InChI Key | BZWBRLWSWBQIBX-UHFFFAOYSA-N |
Molecular Formula | C7H5BrClNO |
1-(2-Chloropyridin-4-yl)ethanone, 97%, Thermo Scientific™
CAS: 23794-15-2 Molecular Formula: C7H6ClNO Molecular Weight (g/mol): 155.581 MDL Number: MFCD07699406 InChI Key: ZJCGPQZERFBGSM-UHFFFAOYSA-N Synonym: 1-2-chloropyridin-4-yl ethanone,2-chloro-4-acetylpyridine,4-acetyl-2-chloropyridine,1-2-chloropyridine-4-yl ethanone,1-2-chloropyridin-4-yl ethan-1-one,1-2-chloro-pyridin-4-yl-ethanone,1-2-chloro-4-pyridinyl-1-ethanone,ethanone, 1-2-chloro-4-pyridinyl,1-2-chloro-4-pyridyl ethanone,1-2-chloro-4-pyridinyl ethanone PubChem CID: 13145255 IUPAC Name: 1-(2-chloropyridin-4-yl)ethanone SMILES: CC(=O)C1=CC(=NC=C1)Cl
PubChem CID | 13145255 |
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CAS | 23794-15-2 |
Molecular Weight (g/mol) | 155.581 |
MDL Number | MFCD07699406 |
SMILES | CC(=O)C1=CC(=NC=C1)Cl |
Synonym | 1-2-chloropyridin-4-yl ethanone,2-chloro-4-acetylpyridine,4-acetyl-2-chloropyridine,1-2-chloropyridine-4-yl ethanone,1-2-chloropyridin-4-yl ethan-1-one,1-2-chloro-pyridin-4-yl-ethanone,1-2-chloro-4-pyridinyl-1-ethanone,ethanone, 1-2-chloro-4-pyridinyl,1-2-chloro-4-pyridyl ethanone,1-2-chloro-4-pyridinyl ethanone |
IUPAC Name | 1-(2-chloropyridin-4-yl)ethanone |
InChI Key | ZJCGPQZERFBGSM-UHFFFAOYSA-N |
Molecular Formula | C7H6ClNO |
(6-Thien-2-ylpyrid-3-yl)methanol, 95%, Thermo Scientific™
CAS: 198078-57-8 Molecular Formula: C10H9NOS Molecular Weight (g/mol): 191.248 MDL Number: MFCD06410427 InChI Key: OLHQRPWNQRBQMA-UHFFFAOYSA-N Synonym: 6-thien-2-ylpyrid-3-yl methanol,6-thiophen-2-yl pyridin-3-yl methanol,3-pyridinemethanol,6-2-thienyl,2-thien-2-yl-5-hydroxymethylpyridine,6-2-thienyl-3-pyridyl methan-1-ol PubChem CID: 15411145 IUPAC Name: (6-thiophen-2-ylpyridin-3-yl)methanol SMILES: C1=CSC(=C1)C2=NC=C(C=C2)CO
PubChem CID | 15411145 |
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CAS | 198078-57-8 |
Molecular Weight (g/mol) | 191.248 |
MDL Number | MFCD06410427 |
SMILES | C1=CSC(=C1)C2=NC=C(C=C2)CO |
Synonym | 6-thien-2-ylpyrid-3-yl methanol,6-thiophen-2-yl pyridin-3-yl methanol,3-pyridinemethanol,6-2-thienyl,2-thien-2-yl-5-hydroxymethylpyridine,6-2-thienyl-3-pyridyl methan-1-ol |
IUPAC Name | (6-thiophen-2-ylpyridin-3-yl)methanol |
InChI Key | OLHQRPWNQRBQMA-UHFFFAOYSA-N |
Molecular Formula | C10H9NOS |
2-Bromothiophene-3-carbaldehyde, 97%, Thermo Scientific™
CAS: 1860-99-7 Molecular Formula: C5H3BrOS Molecular Weight (g/mol): 191.042 MDL Number: MFCD09025880 InChI Key: MMEGVQIGIBCTHI-UHFFFAOYSA-N PubChem CID: 12245921 IUPAC Name: 2-bromothiophene-3-carbaldehyde SMILES: C1=CSC(=C1C=O)Br
PubChem CID | 12245921 |
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CAS | 1860-99-7 |
Molecular Weight (g/mol) | 191.042 |
MDL Number | MFCD09025880 |
SMILES | C1=CSC(=C1C=O)Br |
IUPAC Name | 2-bromothiophene-3-carbaldehyde |
InChI Key | MMEGVQIGIBCTHI-UHFFFAOYSA-N |
Molecular Formula | C5H3BrOS |