Organooxygen compounds
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3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid, 90+%, Thermo Scientific™
CAS: 279261-89-1 Molecular Formula: C9H11BO4 Molecular Weight (g/mol): 193.99 MDL Number: MFCD02681910 InChI Key: CSNCBPVLUIFJOS-UHFFFAOYSA-N Synonym: 3,4-dihydro-2h-benzo b 1,4 dioxepin-7-yl boronic acid,3,4-dihydro-2h-1,5-benzodioxepine-7-boronic acid,3,4-dihydro-2h-1,5-benzodioxepin-7-yl boronic acid,boronic acid,b-3,4-dihydro-2h-1,5-benzodioxepin-7-yl,3,4-dihydro-2h-benzo b 1,4 dioxepin-7-ylboronic acid,boronic acid, 3,4-dihydro-2h-1,5-benzodioxepin-7-yl,pubchem7845,acmc-1crzt,3,4-dihydro-2h-1,5-benzodioxepin-7-boronic acid PubChem CID: 2776398 IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-ylboronic acid SMILES: OB(O)C1=CC=C2OCCCOC2=C1
| PubChem CID | 2776398 |
|---|---|
| CAS | 279261-89-1 |
| Molecular Weight (g/mol) | 193.99 |
| MDL Number | MFCD02681910 |
| SMILES | OB(O)C1=CC=C2OCCCOC2=C1 |
| Synonym | 3,4-dihydro-2h-benzo b 1,4 dioxepin-7-yl boronic acid,3,4-dihydro-2h-1,5-benzodioxepine-7-boronic acid,3,4-dihydro-2h-1,5-benzodioxepin-7-yl boronic acid,boronic acid,b-3,4-dihydro-2h-1,5-benzodioxepin-7-yl,3,4-dihydro-2h-benzo b 1,4 dioxepin-7-ylboronic acid,boronic acid, 3,4-dihydro-2h-1,5-benzodioxepin-7-yl,pubchem7845,acmc-1crzt,3,4-dihydro-2h-1,5-benzodioxepin-7-boronic acid |
| IUPAC Name | 3,4-dihydro-2H-1,5-benzodioxepin-7-ylboronic acid |
| InChI Key | CSNCBPVLUIFJOS-UHFFFAOYSA-N |
| Molecular Formula | C9H11BO4 |
3-Acetylpyrrole, 97%
CAS: 1072-82-8 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.128 MDL Number: MFCD00067759 InChI Key: KHHSXHXUQVNBGA-UHFFFAOYSA-N Synonym: 3-acetylpyrrole,1-1h-pyrrol-3-yl ethanone,1-1h-pyrrol-3-yl ethan-1-one,ethanone, 1-1h-pyrrol-3-yl,1-1h-pyrrol-3-yl-ethanone,3-acetyl-1h-pyrrole,3-acetyl pyrrole,pubchem22508,3-acetyl-1h-pyrroline PubChem CID: 2737793 IUPAC Name: 1-(1H-pyrrol-3-yl)ethanone SMILES: CC(=O)C1=CNC=C1
| PubChem CID | 2737793 |
|---|---|
| CAS | 1072-82-8 |
| Molecular Weight (g/mol) | 109.128 |
| MDL Number | MFCD00067759 |
| SMILES | CC(=O)C1=CNC=C1 |
| Synonym | 3-acetylpyrrole,1-1h-pyrrol-3-yl ethanone,1-1h-pyrrol-3-yl ethan-1-one,ethanone, 1-1h-pyrrol-3-yl,1-1h-pyrrol-3-yl-ethanone,3-acetyl-1h-pyrrole,3-acetyl pyrrole,pubchem22508,3-acetyl-1h-pyrroline |
| IUPAC Name | 1-(1H-pyrrol-3-yl)ethanone |
| InChI Key | KHHSXHXUQVNBGA-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO |
4-Morpholinylsulfur trifluoride, 95%
CAS: 51010-74-3 Molecular Formula: C4H8F3NOS Molecular Weight (g/mol): 175.169 MDL Number: MFCD00037057 InChI Key: UFXIRMVZNARBDL-UHFFFAOYSA-N Synonym: morpholinosulfur trifluoride,morpholinosulfurtrifluoride,morph-dast,4-trifluoro-$l^ 4-sulfanyl morpholine,4-trifluoro-??-sulfanyl morpholine,morpholinosulphur trifluoride,morpho-dast,acmc-209krh,trifluoro morpholin-4-yl,morpholinotrifluorosulfur iv PubChem CID: 2733258 IUPAC Name: trifluoro(morpholin-4-yl)-$l^{4}-sulfane SMILES: C1COCCN1S(F)(F)F
| PubChem CID | 2733258 |
|---|---|
| CAS | 51010-74-3 |
| Molecular Weight (g/mol) | 175.169 |
| MDL Number | MFCD00037057 |
| SMILES | C1COCCN1S(F)(F)F |
| Synonym | morpholinosulfur trifluoride,morpholinosulfurtrifluoride,morph-dast,4-trifluoro-$l^ 4-sulfanyl morpholine,4-trifluoro-??-sulfanyl morpholine,morpholinosulphur trifluoride,morpho-dast,acmc-209krh,trifluoro morpholin-4-yl,morpholinotrifluorosulfur iv |
| IUPAC Name | trifluoro(morpholin-4-yl)-$l^{4}-sulfane |
| InChI Key | UFXIRMVZNARBDL-UHFFFAOYSA-N |
| Molecular Formula | C4H8F3NOS |
(S)-(+)-2-Methoxypropanol, 97%
CAS: 116422-39-0 Molecular Formula: C4H10O2 Molecular Weight (g/mol): 90.12 MDL Number: MFCD01632593 InChI Key: YTTFFPATQICAQN-BYPYZUCNSA-N Synonym: 2s-2-methoxypropan-1-ol,s-+-2-methoxypropanol,s-2-methoxypropan-1-ol,unii-6725gr28fg,2-methoxy-1-propanol, 2s,1-propanol, 2-methoxy-, 2s,2s-2-methoxy-1-propanol,s-2-methoxy-1-propanol,2-s-methoxypropan-1-ol,1-propanol, 2-methoxy-, s PubChem CID: 642402 IUPAC Name: (2S)-2-methoxypropan-1-ol SMILES: CC(CO)OC
| PubChem CID | 642402 |
|---|---|
| CAS | 116422-39-0 |
| Molecular Weight (g/mol) | 90.12 |
| MDL Number | MFCD01632593 |
| SMILES | CC(CO)OC |
| Synonym | 2s-2-methoxypropan-1-ol,s-+-2-methoxypropanol,s-2-methoxypropan-1-ol,unii-6725gr28fg,2-methoxy-1-propanol, 2s,1-propanol, 2-methoxy-, 2s,2s-2-methoxy-1-propanol,s-2-methoxy-1-propanol,2-s-methoxypropan-1-ol,1-propanol, 2-methoxy-, s |
| IUPAC Name | (2S)-2-methoxypropan-1-ol |
| InChI Key | YTTFFPATQICAQN-BYPYZUCNSA-N |
| Molecular Formula | C4H10O2 |
Diethyl ethylmalonate, 99%
CAS: 133-13-1 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.22 MDL Number: MFCD00009167 InChI Key: VQAZCUCWHIIFGE-UHFFFAOYSA-N Synonym: diethyl ethylmalonate,diethyl 2-ethylmalonate,propanedioic acid, ethyl-, diethyl ester,ethylmalonic acid diethyl ester,1,3-diethyl 2-ethylpropanedioate,unii-69g92oyr3m,propanedioic acid, 2-ethyl-, 1,3-diethyl ester,malonic acid, ethyl-, diethyl ester,diethyl ethylpropanedioate,diethyl 2-ethylpropane-1,3-dioate PubChem CID: 8610 IUPAC Name: diethyl 2-ethylpropanedioate SMILES: CCC(C(=O)OCC)C(=O)OCC
| PubChem CID | 8610 |
|---|---|
| CAS | 133-13-1 |
| Molecular Weight (g/mol) | 188.22 |
| MDL Number | MFCD00009167 |
| SMILES | CCC(C(=O)OCC)C(=O)OCC |
| Synonym | diethyl ethylmalonate,diethyl 2-ethylmalonate,propanedioic acid, ethyl-, diethyl ester,ethylmalonic acid diethyl ester,1,3-diethyl 2-ethylpropanedioate,unii-69g92oyr3m,propanedioic acid, 2-ethyl-, 1,3-diethyl ester,malonic acid, ethyl-, diethyl ester,diethyl ethylpropanedioate,diethyl 2-ethylpropane-1,3-dioate |
| IUPAC Name | diethyl 2-ethylpropanedioate |
| InChI Key | VQAZCUCWHIIFGE-UHFFFAOYSA-N |
| Molecular Formula | C9H16O4 |
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 |
Monothioglycerol, NF, 97-101%, 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 |
Naproxen, USP, 98.5-101.5%, Spectrum™ Chemical
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CAS: 22204-53-1 Molecular Formula: C14H14O3 Molecular Weight (g/mol): 230.26 InChI Key: CMWTZPSULFXXJA-UHFFFAOYNA-N IUPAC Name: 2-(6-methoxynaphthalen-2-yl)propanoic acid SMILES: COC1=CC=C2C=C(C=CC2=C1)C(C)C(O)=O
| CAS | 22204-53-1 |
|---|---|
| Molecular Weight (g/mol) | 230.26 |
| SMILES | COC1=CC=C2C=C(C=CC2=C1)C(C)C(O)=O |
| IUPAC Name | 2-(6-methoxynaphthalen-2-yl)propanoic acid |
| InChI Key | CMWTZPSULFXXJA-UHFFFAOYNA-N |
| Molecular Formula | C14H14O3 |
5,7-Dibromo-1-indanone, 97%
CAS: 923977-18-8 Molecular Formula: C9H6Br2O Molecular Weight (g/mol): 289.954 MDL Number: MFCD11707100 InChI Key: WLRPGDOWFWBUAE-UHFFFAOYSA-N Synonym: 5,7-dibromo-1-indanone,5,7-dibromo-2,3-dihydro-1h-inden-1-one,5,7-dibromoindanone,5,7-dibromoindan-1-one,5,7-bis bromanyl-2,3-dihydroinden-1-one PubChem CID: 16038257 IUPAC Name: 5,7-dibromo-2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=C(C=C(C=C21)Br)Br
| PubChem CID | 16038257 |
|---|---|
| CAS | 923977-18-8 |
| Molecular Weight (g/mol) | 289.954 |
| MDL Number | MFCD11707100 |
| SMILES | C1CC(=O)C2=C(C=C(C=C21)Br)Br |
| Synonym | 5,7-dibromo-1-indanone,5,7-dibromo-2,3-dihydro-1h-inden-1-one,5,7-dibromoindanone,5,7-dibromoindan-1-one,5,7-bis bromanyl-2,3-dihydroinden-1-one |
| IUPAC Name | 5,7-dibromo-2,3-dihydroinden-1-one |
| InChI Key | WLRPGDOWFWBUAE-UHFFFAOYSA-N |
| Molecular Formula | C9H6Br2O |
2-Methoxyethanol, 99.5+%, for analysis
CAS: 109-86-4 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.09 MDL Number: MFCD00002867 InChI Key: XNWFRZJHXBZDAG-UHFFFAOYSA-N Synonym: methyl cellosolve,ethanol, 2-methoxy,ethylene glycol monomethyl ether,methyl oxitol,2-methoxy-1-ethanol,methoxyethanol,3-oxa-1-butanol,egme,monomethyl glycol,dowanol em PubChem CID: 8019 ChEBI: CHEBI:46790 IUPAC Name: 2-methoxyethanol SMILES: COCCO
| PubChem CID | 8019 |
|---|---|
| CAS | 109-86-4 |
| Molecular Weight (g/mol) | 76.09 |
| ChEBI | CHEBI:46790 |
| MDL Number | MFCD00002867 |
| SMILES | COCCO |
| Synonym | methyl cellosolve,ethanol, 2-methoxy,ethylene glycol monomethyl ether,methyl oxitol,2-methoxy-1-ethanol,methoxyethanol,3-oxa-1-butanol,egme,monomethyl glycol,dowanol em |
| IUPAC Name | 2-methoxyethanol |
| InChI Key | XNWFRZJHXBZDAG-UHFFFAOYSA-N |
| Molecular Formula | C3H8O2 |
iso-Propyl Ether, BAKER ANALYZED™ A.C.S. Reagent, J.T. Baker™
CAS: 108-20-3 Molecular Formula: C6H14O Molecular Weight (g/mol): 102.177 InChI Key: ZAFNJMIOTHYJRJ-UHFFFAOYSA-N Synonym: diisopropyl ether,isopropyl ether,propane, 2,2'-oxybis,2-isopropoxypropane,diisopropyl oxide,diisopropylether,ether, isopropyl,2,2'-oxydipropane,isopropylether,bis isopropyl ether PubChem CID: 7914 IUPAC Name: 2-propan-2-yloxypropane SMILES: CC(C)OC(C)C
| PubChem CID | 7914 |
|---|---|
| CAS | 108-20-3 |
| Molecular Weight (g/mol) | 102.177 |
| SMILES | CC(C)OC(C)C |
| Synonym | diisopropyl ether,isopropyl ether,propane, 2,2'-oxybis,2-isopropoxypropane,diisopropyl oxide,diisopropylether,ether, isopropyl,2,2'-oxydipropane,isopropylether,bis isopropyl ether |
| IUPAC Name | 2-propan-2-yloxypropane |
| InChI Key | ZAFNJMIOTHYJRJ-UHFFFAOYSA-N |
| Molecular Formula | C6H14O |
2'-Aminoacetophenone, 98%
CAS: 551-93-9 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.17 MDL Number: MFCD00007717 InChI Key: GTDQGKWDWVUKTI-UHFFFAOYSA-N Synonym: 2'-aminoacetophenone,1-2-aminophenyl ethanone,o-aminoacetophenone,2-acetylaniline,o-acetylaniline,o-aminoacetylbenzene,1-acetyl-2-aminobenzene,1-2-aminophenyl ethan-1-one,acetophenone, 2'-amino,ethanone, 1-2-aminophenyl PubChem CID: 11086 IUPAC Name: 1-(2-aminophenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1N
| PubChem CID | 11086 |
|---|---|
| CAS | 551-93-9 |
| Molecular Weight (g/mol) | 135.17 |
| MDL Number | MFCD00007717 |
| SMILES | CC(=O)C1=CC=CC=C1N |
| Synonym | 2'-aminoacetophenone,1-2-aminophenyl ethanone,o-aminoacetophenone,2-acetylaniline,o-acetylaniline,o-aminoacetylbenzene,1-acetyl-2-aminobenzene,1-2-aminophenyl ethan-1-one,acetophenone, 2'-amino,ethanone, 1-2-aminophenyl |
| IUPAC Name | 1-(2-aminophenyl)ethanone |
| InChI Key | GTDQGKWDWVUKTI-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO |
3,4-Dihydro-2H-1,5-benzodioxepin-7-amine, 98%
CAS: 175136-34-2 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00218806 InChI Key: FVLCICVRAPEYNX-UHFFFAOYSA-N PubChem CID: 2775654 IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-amine SMILES: C1COC2=C(C=C(C=C2)N)OC1
| PubChem CID | 2775654 |
|---|---|
| CAS | 175136-34-2 |
| Molecular Weight (g/mol) | 165.192 |
| MDL Number | MFCD00218806 |
| SMILES | C1COC2=C(C=C(C=C2)N)OC1 |
| IUPAC Name | 3,4-dihydro-2H-1,5-benzodioxepin-7-amine |
| InChI Key | FVLCICVRAPEYNX-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
2,2-Diethoxyacetophenone, 96%
CAS: 6175-45-7 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.26 MDL Number: MFCD00009659 InChI Key: PIZHFBODNLEQBL-UHFFFAOYSA-N Synonym: 2,2-diethoxyacetophenone,ethanone, 2,2-diethoxy-1-phenyl,phenylglyoxal diethyl acetal,2,2-diethoxy-1-phenylethan-1-one,alpha,alpha-diethoxyacetophenone,unii-w4bcz1mak3,2,2-diethoxy acetophenone,ccris 5222,benzoylformaldehyde diethyl acetal,glyoxal, phenyl-, 2-diethyl acetal PubChem CID: 22555 IUPAC Name: 2,2-diethoxy-1-phenylethanone SMILES: CCOC(OCC)C(=O)C1=CC=CC=C1
| PubChem CID | 22555 |
|---|---|
| CAS | 6175-45-7 |
| Molecular Weight (g/mol) | 208.26 |
| MDL Number | MFCD00009659 |
| SMILES | CCOC(OCC)C(=O)C1=CC=CC=C1 |
| Synonym | 2,2-diethoxyacetophenone,ethanone, 2,2-diethoxy-1-phenyl,phenylglyoxal diethyl acetal,2,2-diethoxy-1-phenylethan-1-one,alpha,alpha-diethoxyacetophenone,unii-w4bcz1mak3,2,2-diethoxy acetophenone,ccris 5222,benzoylformaldehyde diethyl acetal,glyoxal, phenyl-, 2-diethyl acetal |
| IUPAC Name | 2,2-diethoxy-1-phenylethanone |
| InChI Key | PIZHFBODNLEQBL-UHFFFAOYSA-N |
| Molecular Formula | C12H16O3 |
Monomethyl monopotassium malonate, 98%
CAS: 38330-80-2 Molecular Formula: C4H5O4·K Molecular Weight (g/mol): 156.18 MDL Number: MFCD00014021 InChI Key: WWTULTKUWBKVGV-UHFFFAOYSA-M Synonym: potassium 3-methoxy-3-oxopropanoate,methyl potassium malonate,potassium methyl malonate,propanedioic acid, monomethyl ester, potassium salt,potassium monomethyl malonate,monomethyl malonate potassium salt,hydrogen methyl malonate potassium salt,monomethylpotassiummalonate,acmc-209vp4,ksc226a9d PubChem CID: 2724687 IUPAC Name: potassium;3-methoxy-3-oxopropanoate SMILES: COC(=O)CC(=O)[O-].[K+]
| PubChem CID | 2724687 |
|---|---|
| CAS | 38330-80-2 |
| Molecular Weight (g/mol) | 156.18 |
| MDL Number | MFCD00014021 |
| SMILES | COC(=O)CC(=O)[O-].[K+] |
| Synonym | potassium 3-methoxy-3-oxopropanoate,methyl potassium malonate,potassium methyl malonate,propanedioic acid, monomethyl ester, potassium salt,potassium monomethyl malonate,monomethyl malonate potassium salt,hydrogen methyl malonate potassium salt,monomethylpotassiummalonate,acmc-209vp4,ksc226a9d |
| IUPAC Name | potassium;3-methoxy-3-oxopropanoate |
| InChI Key | WWTULTKUWBKVGV-UHFFFAOYSA-M |
| Molecular Formula | C4H5O4·K |