
Organooxygen compounds
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Mono-benzyl malonate, 95%
CAS: 40204-26-0 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00138132 InChI Key: CFLAHQSWDKNWPW-UHFFFAOYSA-N Synonym: mono-benzyl malonate,monobenzyl malonate,3-benzyloxy-3-oxopropanoic acid,benzyl hemimalonate,benzyl hydrogen malonate,monobenzylmalonate,2-benzyloxy carbonyl acetic acid,malonic acid monobenzyl ester,3-benzyl-oxy-3-oxopropanoic acid,propanedioic acid, 1-phenylmethyl ester PubChem CID: 181659 ChEBI: CHEBI:84093 IUPAC Name: 3-oxo-3-phenylmethoxypropanoic acid SMILES: OC(=O)CC(=O)OCC1=CC=CC=C1
PubChem CID | 181659 |
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CAS | 40204-26-0 |
Molecular Weight (g/mol) | 194.19 |
ChEBI | CHEBI:84093 |
MDL Number | MFCD00138132 |
SMILES | OC(=O)CC(=O)OCC1=CC=CC=C1 |
Synonym | mono-benzyl malonate,monobenzyl malonate,3-benzyloxy-3-oxopropanoic acid,benzyl hemimalonate,benzyl hydrogen malonate,monobenzylmalonate,2-benzyloxy carbonyl acetic acid,malonic acid monobenzyl ester,3-benzyl-oxy-3-oxopropanoic acid,propanedioic acid, 1-phenylmethyl ester |
IUPAC Name | 3-oxo-3-phenylmethoxypropanoic acid |
InChI Key | CFLAHQSWDKNWPW-UHFFFAOYSA-N |
Molecular Formula | C10H10O4 |
Bis(2-methoxyethyl) ether, 99+%, Extra Dry over Molecular Sieve, AcroSeal™
CAS: 111-96-6 Molecular Formula: C6H14O3 Molecular Weight (g/mol): 134.18 InChI Key: SBZXBUIDTXKZTM-UHFFFAOYSA-N Synonym: diglyme,bis 2-methoxyethyl ether,2-methoxyethyl ether,1-methoxy-2-2-methoxyethoxy ethane,diethylene glycol dimethyl ether,poly-solv,di 2-methoxyethyl ether,dimethyl carbitol,2,5,8-trioxanonane PubChem CID: 8150 ChEBI: CHEBI:46784 IUPAC Name: 1-methoxy-2-(2-methoxyethoxy)ethane SMILES: COCCOCCOC
PubChem CID | 8150 |
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CAS | 111-96-6 |
Molecular Weight (g/mol) | 134.18 |
ChEBI | CHEBI:46784 |
SMILES | COCCOCCOC |
Synonym | diglyme,bis 2-methoxyethyl ether,2-methoxyethyl ether,1-methoxy-2-2-methoxyethoxy ethane,diethylene glycol dimethyl ether,poly-solv,di 2-methoxyethyl ether,dimethyl carbitol,2,5,8-trioxanonane |
IUPAC Name | 1-methoxy-2-(2-methoxyethoxy)ethane |
InChI Key | SBZXBUIDTXKZTM-UHFFFAOYSA-N |
Molecular Formula | C6H14O3 |
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 |
5-Bromo-2-(tetrahydropyran-4-yloxy)pyridine, 97%, Thermo Scientific™
CAS: 494772-07-5 Molecular Formula: C10H12BrNO2 Molecular Weight (g/mol): 258.115 MDL Number: MFCD09064985 InChI Key: ZCTXTBRJCPHMEP-UHFFFAOYSA-N Synonym: 5-bromo-2-tetrahydro-2h-pyran-4-yloxy pyridine,5-bromo-2-tetrahydro-2h-pyran-4-yl oxy pyridine,5-bromo-2-tetrahydropyran-4-yloxy pyridine,5-bromo-2-oxan-4-yloxy pyridine,pyridine,5-bromo-2-tetrahydro-2h-pyran-4-yl oxy,pubchem22061,5-bromo-2-oxan-4-yl oxy pyridine,2-tetrahydropyran-4-yloxy-5-bromopridine,2-tetrahydropyran-4-yloxy-5-bromopyridine,4-5-bromopyridin-2-yl oxy oxane PubChem CID: 21914391 IUPAC Name: 5-bromo-2-(oxan-4-yloxy)pyridine SMILES: C1COCCC1OC2=NC=C(C=C2)Br
PubChem CID | 21914391 |
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CAS | 494772-07-5 |
Molecular Weight (g/mol) | 258.115 |
MDL Number | MFCD09064985 |
SMILES | C1COCCC1OC2=NC=C(C=C2)Br |
Synonym | 5-bromo-2-tetrahydro-2h-pyran-4-yloxy pyridine,5-bromo-2-tetrahydro-2h-pyran-4-yl oxy pyridine,5-bromo-2-tetrahydropyran-4-yloxy pyridine,5-bromo-2-oxan-4-yloxy pyridine,pyridine,5-bromo-2-tetrahydro-2h-pyran-4-yl oxy,pubchem22061,5-bromo-2-oxan-4-yl oxy pyridine,2-tetrahydropyran-4-yloxy-5-bromopridine,2-tetrahydropyran-4-yloxy-5-bromopyridine,4-5-bromopyridin-2-yl oxy oxane |
IUPAC Name | 5-bromo-2-(oxan-4-yloxy)pyridine |
InChI Key | ZCTXTBRJCPHMEP-UHFFFAOYSA-N |
Molecular Formula | C10H12BrNO2 |
Iron(III) 1,1,1-trifluoro 2,4-pentanedionate
CAS: 14526-22-8 Molecular Formula: C15H12F9FeO6 Molecular Weight (g/mol): 515.09 MDL Number: MFCD00017760 InChI Key: PDLKINIVWBCDRU-UHFFFAOYSA-N Synonym: ferric iron 1,1,1-trifluoro-4-oxopent-2-en-2-olate PubChem CID: 71299627 SMILES: [Fe+3].CC(=O)[CH-]C(=O)C(F)(F)F.CC(=O)[CH-]C(=O)C(F)(F)F.CC(=O)[CH-]C(=O)C(F)(F)F
PubChem CID | 71299627 |
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CAS | 14526-22-8 |
Molecular Weight (g/mol) | 515.09 |
MDL Number | MFCD00017760 |
SMILES | [Fe+3].CC(=O)[CH-]C(=O)C(F)(F)F.CC(=O)[CH-]C(=O)C(F)(F)F.CC(=O)[CH-]C(=O)C(F)(F)F |
Synonym | ferric iron 1,1,1-trifluoro-4-oxopent-2-en-2-olate |
InChI Key | PDLKINIVWBCDRU-UHFFFAOYSA-N |
Molecular Formula | C15H12F9FeO6 |
Zirconium(IV) tert-butoxide, 99.99% (metals basis), Thermo Scientific Chemicals
CAS: 2081-12-1 Molecular Formula: C16H40O4Zr Molecular Weight (g/mol): 387.72 MDL Number: MFCD00075085 InChI Key: WRMYASGYMABHCC-UHFFFAOYSA-N Synonym: zirconium iv tert-butoxide,2-methylpropan-2-ol; zirconium PubChem CID: 25203936 IUPAC Name: 2-methylpropan-2-ol;zirconium SMILES: CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.[Zr]
PubChem CID | 25203936 |
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CAS | 2081-12-1 |
Molecular Weight (g/mol) | 387.72 |
MDL Number | MFCD00075085 |
SMILES | CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.[Zr] |
Synonym | zirconium iv tert-butoxide,2-methylpropan-2-ol; zirconium |
IUPAC Name | 2-methylpropan-2-ol;zirconium |
InChI Key | WRMYASGYMABHCC-UHFFFAOYSA-N |
Molecular Formula | C16H40O4Zr |
1-Adamantanemethanol, 99%
CAS: 770-71-8 Molecular Formula: C11H18O Molecular Weight (g/mol): 166.26 MDL Number: MFCD00074751 InChI Key: MDVGOOIANLZFCP-UHFFFAOYSA-N Synonym: 1-adamantanemethanol,adamantan-1-ylmethanol,1-adamantane methanol,1-hydroxymethyl adamantane,adamantane-1-methanol,adamantan-1-yl-methanol,1-hydroxymethyladamantane,tricyclo 3.3.1.1'3,7 dec-1-ylmethanol,adamantan-1-yl methanol,tricyclo 3.3.1.13,7 decanemethanol PubChem CID: 64556 IUPAC Name: 1-adamantylmethanol SMILES: C1C2CC3CC1CC(C2)(C3)CO
PubChem CID | 64556 |
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CAS | 770-71-8 |
Molecular Weight (g/mol) | 166.26 |
MDL Number | MFCD00074751 |
SMILES | C1C2CC3CC1CC(C2)(C3)CO |
Synonym | 1-adamantanemethanol,adamantan-1-ylmethanol,1-adamantane methanol,1-hydroxymethyl adamantane,adamantane-1-methanol,adamantan-1-yl-methanol,1-hydroxymethyladamantane,tricyclo 3.3.1.1'3,7 dec-1-ylmethanol,adamantan-1-yl methanol,tricyclo 3.3.1.13,7 decanemethanol |
IUPAC Name | 1-adamantylmethanol |
InChI Key | MDVGOOIANLZFCP-UHFFFAOYSA-N |
Molecular Formula | C11H18O |
4-Phenyl-1-butanol, 97%
CAS: 3360-41-6 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00002971 InChI Key: LDZLXQFDGRCELX-UHFFFAOYSA-N Synonym: 4-phenyl-1-butanol,benzenebutanol,4-phenylbutanol,phenylbutyl alcohol,4-phenylbutyl alcohol,1-butanol, 4-phenyl,4-phenyl butanol-1,4-phenyl butanol,unii-q5orz1321g,4-phenyl-n-butanol PubChem CID: 76889 IUPAC Name: 4-phenylbutan-1-ol SMILES: C1=CC=C(C=C1)CCCCO
PubChem CID | 76889 |
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CAS | 3360-41-6 |
Molecular Weight (g/mol) | 150.22 |
MDL Number | MFCD00002971 |
SMILES | C1=CC=C(C=C1)CCCCO |
Synonym | 4-phenyl-1-butanol,benzenebutanol,4-phenylbutanol,phenylbutyl alcohol,4-phenylbutyl alcohol,1-butanol, 4-phenyl,4-phenyl butanol-1,4-phenyl butanol,unii-q5orz1321g,4-phenyl-n-butanol |
IUPAC Name | 4-phenylbutan-1-ol |
InChI Key | LDZLXQFDGRCELX-UHFFFAOYSA-N |
Molecular Formula | C10H14O |
Cyclobutanemethanol, 99%
CAS: 4415-82-1 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00001330 InChI Key: WPOPOPFNZYPKAV-UHFFFAOYSA-N Synonym: cyclobutanemethanol,hydroxymethylcyclobutane,cyclobutylcarbinol,hydroxymethyl cyclobutane,cyclobutyl methanol,cyclobutyl-methanol,cyclobutanecarbinol,cyclobutane carbinol,pubchem23465 PubChem CID: 78130 IUPAC Name: cyclobutylmethanol SMILES: C1CC(C1)CO
PubChem CID | 78130 |
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CAS | 4415-82-1 |
Molecular Weight (g/mol) | 86.13 |
MDL Number | MFCD00001330 |
SMILES | C1CC(C1)CO |
Synonym | cyclobutanemethanol,hydroxymethylcyclobutane,cyclobutylcarbinol,hydroxymethyl cyclobutane,cyclobutyl methanol,cyclobutyl-methanol,cyclobutanecarbinol,cyclobutane carbinol,pubchem23465 |
IUPAC Name | cyclobutylmethanol |
InChI Key | WPOPOPFNZYPKAV-UHFFFAOYSA-N |
Molecular Formula | C5H10O |
Methoxyacetic acid, 97+%
CAS: 625-45-6 Molecular Formula: C3H6O3 Molecular Weight (g/mol): 90.08 MDL Number: MFCD00004308 InChI Key: RMIODHQZRUFFFF-UHFFFAOYSA-N Synonym: methoxyacetic acid,acetic acid, methoxy,methoxyethanoic acid,acetic acid, 2-methoxy,ch3och2cooh,methoxyacetlc acid,unii-f11t1h7q7w,methoxy acetic acid,methoxy-acetic acid,ccris 6518 PubChem CID: 12251 IUPAC Name: 2-methoxyacetic acid SMILES: COCC(=O)O
PubChem CID | 12251 |
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CAS | 625-45-6 |
Molecular Weight (g/mol) | 90.08 |
MDL Number | MFCD00004308 |
SMILES | COCC(=O)O |
Synonym | methoxyacetic acid,acetic acid, methoxy,methoxyethanoic acid,acetic acid, 2-methoxy,ch3och2cooh,methoxyacetlc acid,unii-f11t1h7q7w,methoxy acetic acid,methoxy-acetic acid,ccris 6518 |
IUPAC Name | 2-methoxyacetic acid |
InChI Key | RMIODHQZRUFFFF-UHFFFAOYSA-N |
Molecular Formula | C3H6O3 |
2-Methyl-1-propanol, 99+%, spectrophotometric grade
CAS: 78-83-1 Molecular Formula: C4H10O Molecular Weight (g/mol): 74.12 MDL Number: MFCD00004740 InChI Key: ZXEKIIBDNHEJCQ-UHFFFAOYSA-N Synonym: 2-methyl-1-propanol,isobutanol,isobutyl alcohol,1-propanol, 2-methyl,1-hydroxymethylpropane,isopropylcarbinol,iso-butyl alcohol,2-methylpropyl alcohol,isobutylalkohol,i-butyl alcohol PubChem CID: 6560 ChEBI: CHEBI:46645 IUPAC Name: 2-methylpropan-1-ol SMILES: CC(C)CO
PubChem CID | 6560 |
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CAS | 78-83-1 |
Molecular Weight (g/mol) | 74.12 |
ChEBI | CHEBI:46645 |
MDL Number | MFCD00004740 |
SMILES | CC(C)CO |
Synonym | 2-methyl-1-propanol,isobutanol,isobutyl alcohol,1-propanol, 2-methyl,1-hydroxymethylpropane,isopropylcarbinol,iso-butyl alcohol,2-methylpropyl alcohol,isobutylalkohol,i-butyl alcohol |
IUPAC Name | 2-methylpropan-1-ol |
InChI Key | ZXEKIIBDNHEJCQ-UHFFFAOYSA-N |
Molecular Formula | C4H10O |
4-(Trifluoroacetyl)benzoic acid, 97+%
CAS: 58808-59-6 Molecular Formula: C9H5F3O3 Molecular Weight (g/mol): 218.131 MDL Number: MFCD00052340 InChI Key: WLTZCRCZDLLXQP-UHFFFAOYSA-N Synonym: 4-trifluoroacetyl benzoic acid,4-2,2,2-trifluoroacetyl benzoic acid,benzoic acid, 4-trifluoroacetyl,4-2,2,2-trifluoro-acetyl-benzoic acid,benzoic acid, 4-trifluoroacetyl-9ci,4-carboxy-a,a,a-trifluoroacetophenone,pubchem13997,acmc-1atst,4-trifluoroacetylbenzoic acid,labotest-bb lt00454127 PubChem CID: 143579 IUPAC Name: 4-(2,2,2-trifluoroacetyl)benzoic acid SMILES: C1=CC(=CC=C1C(=O)C(F)(F)F)C(=O)O
PubChem CID | 143579 |
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CAS | 58808-59-6 |
Molecular Weight (g/mol) | 218.131 |
MDL Number | MFCD00052340 |
SMILES | C1=CC(=CC=C1C(=O)C(F)(F)F)C(=O)O |
Synonym | 4-trifluoroacetyl benzoic acid,4-2,2,2-trifluoroacetyl benzoic acid,benzoic acid, 4-trifluoroacetyl,4-2,2,2-trifluoro-acetyl-benzoic acid,benzoic acid, 4-trifluoroacetyl-9ci,4-carboxy-a,a,a-trifluoroacetophenone,pubchem13997,acmc-1atst,4-trifluoroacetylbenzoic acid,labotest-bb lt00454127 |
IUPAC Name | 4-(2,2,2-trifluoroacetyl)benzoic acid |
InChI Key | WLTZCRCZDLLXQP-UHFFFAOYSA-N |
Molecular Formula | C9H5F3O3 |
1,1-Dibromo-3,3,3-trifluoroacetone, 95%
CAS: 431-67-4 Molecular Formula: C3HBr2F3O Molecular Weight (g/mol): 269.843 MDL Number: MFCD00041362 InChI Key: HEPPAPZASXFWTB-UHFFFAOYSA-N Synonym: 1,1-dibromo-3,3,3-trifluoroacetone,3,3-dibromo-1,1,1-trifluoroacetone,3,3-dibromo-1,1,1-trifluoro-propan-2-one,2-propanone, 3,3-dibromo-1,1,1-trifluoro,dibromotrifluoroaceton,pubchem12627,3,3-dibromotrifluoroacetone,ksc237m8t,l,l-dibromo-3,3,3-trifluoroacetone,1,1-di-bromo-3,3,3-trifluoroacetone PubChem CID: 550523 IUPAC Name: 3,3-dibromo-1,1,1-trifluoropropan-2-one SMILES: C(C(=O)C(F)(F)F)(Br)Br
PubChem CID | 550523 |
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CAS | 431-67-4 |
Molecular Weight (g/mol) | 269.843 |
MDL Number | MFCD00041362 |
SMILES | C(C(=O)C(F)(F)F)(Br)Br |
Synonym | 1,1-dibromo-3,3,3-trifluoroacetone,3,3-dibromo-1,1,1-trifluoroacetone,3,3-dibromo-1,1,1-trifluoro-propan-2-one,2-propanone, 3,3-dibromo-1,1,1-trifluoro,dibromotrifluoroaceton,pubchem12627,3,3-dibromotrifluoroacetone,ksc237m8t,l,l-dibromo-3,3,3-trifluoroacetone,1,1-di-bromo-3,3,3-trifluoroacetone |
IUPAC Name | 3,3-dibromo-1,1,1-trifluoropropan-2-one |
InChI Key | HEPPAPZASXFWTB-UHFFFAOYSA-N |
Molecular Formula | C3HBr2F3O |
Propiolaldehyde diethyl acetal, 97%
CAS: 10160-87-9 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00009237 InChI Key: RGUXEWWHSQGVRZ-UHFFFAOYSA-N PubChem CID: 66285 IUPAC Name: 3,3-diethoxyprop-1-yne SMILES: CCOC(OCC)C#C
PubChem CID | 66285 |
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CAS | 10160-87-9 |
Molecular Weight (g/mol) | 128.17 |
MDL Number | MFCD00009237 |
SMILES | CCOC(OCC)C#C |
IUPAC Name | 3,3-diethoxyprop-1-yne |
InChI Key | RGUXEWWHSQGVRZ-UHFFFAOYSA-N |
Molecular Formula | C7H12O2 |