Organooxygen compounds
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3,4-Dihydro-2H-1,5-benzodioxepin-7-amine, 97%, Thermo Scientific™
CAS: 175136-34-2 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00218806 InChI Key: FVLCICVRAPEYNX-UHFFFAOYSA-N Synonym: 3,4-dihydro-2h-benzo b 1,4 dioxepin-7-amine,2h-1,5-benzodioxepin-7-amine,3,4-dihydro,2h-1,5-benzodioxepin-7-amine, 3,4-dihydro,2h,3h,4h-benzo b 1,4-dioxepin-7-ylamine,maybridge1_002016,acmc-1c5sw,buttpark 12115-34,3,4-trimethylenedioxyaniline,7-amino-3,4-dihydro-2h-1,5-benzodioxepine,3, 4-dihydro-7-amino-2h-benzo b 1,4 dioxepine 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 |
| Synonym | 3,4-dihydro-2h-benzo b 1,4 dioxepin-7-amine,2h-1,5-benzodioxepin-7-amine,3,4-dihydro,2h-1,5-benzodioxepin-7-amine, 3,4-dihydro,2h,3h,4h-benzo b 1,4-dioxepin-7-ylamine,maybridge1_002016,acmc-1c5sw,buttpark 12115-34,3,4-trimethylenedioxyaniline,7-amino-3,4-dihydro-2h-1,5-benzodioxepine,3, 4-dihydro-7-amino-2h-benzo b 1,4 dioxepine |
| IUPAC Name | 3,4-dihydro-2H-1,5-benzodioxepin-7-amine |
| InChI Key | FVLCICVRAPEYNX-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
2-Iodo-3-methoxypyridine, 97%
CAS: 93560-55-5 Molecular Formula: C6H6INO Molecular Weight (g/mol): 235.024 MDL Number: MFCD00234181 InChI Key: NJFRZBAZMPWJKQ-UHFFFAOYSA-N Synonym: 2-iodanyl-3-methoxy-pyridine,pyridine, 2-iodo-3-methoxy,2-iodo-3-methoxy-pyridine PubChem CID: 817173 IUPAC Name: 2-iodo-3-methoxypyridine SMILES: COC1=C(N=CC=C1)I
| PubChem CID | 817173 |
|---|---|
| CAS | 93560-55-5 |
| Molecular Weight (g/mol) | 235.024 |
| MDL Number | MFCD00234181 |
| SMILES | COC1=C(N=CC=C1)I |
| Synonym | 2-iodanyl-3-methoxy-pyridine,pyridine, 2-iodo-3-methoxy,2-iodo-3-methoxy-pyridine |
| IUPAC Name | 2-iodo-3-methoxypyridine |
| InChI Key | NJFRZBAZMPWJKQ-UHFFFAOYSA-N |
| Molecular Formula | C6H6INO |
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 |
2-(2-Ethoxyethoxy)ethanol, 99-100%, Spectrum™ Chemical
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CAS: 111-90-0 Molecular Formula: C6H14O3 Molecular Weight (g/mol): 134.18 InChI Key: XXJWXESWEXIICW-UHFFFAOYSA-N IUPAC Name: 2-(2-ethoxyethoxy)ethan-1-ol SMILES: CCOCCOCCO
| CAS | 111-90-0 |
|---|---|
| Molecular Weight (g/mol) | 134.18 |
| SMILES | CCOCCOCCO |
| IUPAC Name | 2-(2-ethoxyethoxy)ethan-1-ol |
| InChI Key | XXJWXESWEXIICW-UHFFFAOYSA-N |
| Molecular Formula | C6H14O3 |
3-Chromanecarboxylic acid, 97%, Thermo Scientific™
CAS: 115822-57-6 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD03783554 InChI Key: UGAGZMGJJFSKQM-UHFFFAOYSA-N Synonym: chroman-3-carboxylic acid,3-chromanecarboxylic acid,chromane-3-carboxylic acid,3,4-dihydro-2h-1-benzopyran-3-carboxylic acid,2h-1-benzopyran-3-carboxylic acid, 3,4-dihydro,2h-1-benzopyran-3-carboxylicacid, 3,4-dihydro,3,4-dihydro-2h-benzopyran-3-carboxylic acid PubChem CID: 2795458 IUPAC Name: 3,4-dihydro-2H-chromene-3-carboxylic acid SMILES: C1C(COC2=CC=CC=C21)C(=O)O
| PubChem CID | 2795458 |
|---|---|
| CAS | 115822-57-6 |
| Molecular Weight (g/mol) | 178.187 |
| MDL Number | MFCD03783554 |
| SMILES | C1C(COC2=CC=CC=C21)C(=O)O |
| Synonym | chroman-3-carboxylic acid,3-chromanecarboxylic acid,chromane-3-carboxylic acid,3,4-dihydro-2h-1-benzopyran-3-carboxylic acid,2h-1-benzopyran-3-carboxylic acid, 3,4-dihydro,2h-1-benzopyran-3-carboxylicacid, 3,4-dihydro,3,4-dihydro-2h-benzopyran-3-carboxylic acid |
| IUPAC Name | 3,4-dihydro-2H-chromene-3-carboxylic acid |
| InChI Key | UGAGZMGJJFSKQM-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
2-(2-Ethoxyethoxy) Ethyl Acetate, 99%, Spectrum™ Chemical
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CAS: 112-15-2 Molecular Formula: C8H16O4 Molecular Weight (g/mol): 176.21 InChI Key: FPZWZCWUIYYYBU-UHFFFAOYSA-N IUPAC Name: 2-(2-ethoxyethoxy)ethyl acetate SMILES: CCOCCOCCOC(C)=O
| CAS | 112-15-2 |
|---|---|
| Molecular Weight (g/mol) | 176.21 |
| SMILES | CCOCCOCCOC(C)=O |
| IUPAC Name | 2-(2-ethoxyethoxy)ethyl acetate |
| InChI Key | FPZWZCWUIYYYBU-UHFFFAOYSA-N |
| Molecular Formula | C8H16O4 |
L-Ascorbyl palmitate, MP Biomedicals™
CAS: 137-66-6 Molecular Formula: C22H38O7 Molecular Weight (g/mol): 414.54 MDL Number: MFCD00005377 InChI Key: NULLRXHRYOXSEW-UHFFFAOYNA-N Synonym: ascorbyl palmitate,l-ascorbyl 6-palmitate,6-o-palmitoyl-l-ascorbic acid,ascorbic palmitate,l-ascorbyl palmitate,unii-qn83us2b0n,ascorbyl monopalmitate,l-ascorbic acid 6-palmitate,s-2-r-3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl-2-hydroxyethyl palmitate,ascorbyl palmitate nf PubChem CID: 54680660 IUPAC Name: 2-(4,5-dihydroxy-3-oxo-2,3-dihydrofuran-2-yl)-2-hydroxyethyl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(O)=C(O)C1=O
| PubChem CID | 54680660 |
|---|---|
| CAS | 137-66-6 |
| Molecular Weight (g/mol) | 414.54 |
| MDL Number | MFCD00005377 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(O)=C(O)C1=O |
| Synonym | ascorbyl palmitate,l-ascorbyl 6-palmitate,6-o-palmitoyl-l-ascorbic acid,ascorbic palmitate,l-ascorbyl palmitate,unii-qn83us2b0n,ascorbyl monopalmitate,l-ascorbic acid 6-palmitate,s-2-r-3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl-2-hydroxyethyl palmitate,ascorbyl palmitate nf |
| IUPAC Name | 2-(4,5-dihydroxy-3-oxo-2,3-dihydrofuran-2-yl)-2-hydroxyethyl hexadecanoate |
| InChI Key | NULLRXHRYOXSEW-UHFFFAOYNA-N |
| Molecular Formula | C22H38O7 |
Cobalt(II) 2-methoxyethoxide, 5% w/v in 2-methoxyethanol, 99% (m.b.), packaged under Ar in resealable ChemSeal bottles, Thermo Scientific Chemicals
CAS: 142600-61-1 Molecular Formula: C6H14CoO4 Molecular Weight (g/mol): 209.107 MDL Number: MFCD00798554 InChI Key: BFBNUELICQBJBC-UHFFFAOYSA-N Synonym: cobalt ii 2-methoxyethoxide PubChem CID: 131873636 IUPAC Name: cobalt(2+);2-methoxyethanolate SMILES: COCC[O-].COCC[O-].[Co+2]
| PubChem CID | 131873636 |
|---|---|
| CAS | 142600-61-1 |
| Molecular Weight (g/mol) | 209.107 |
| MDL Number | MFCD00798554 |
| SMILES | COCC[O-].COCC[O-].[Co+2] |
| Synonym | cobalt ii 2-methoxyethoxide |
| IUPAC Name | cobalt(2+);2-methoxyethanolate |
| InChI Key | BFBNUELICQBJBC-UHFFFAOYSA-N |
| Molecular Formula | C6H14CoO4 |
Bis(4-chlorobutyl) ether, 99%
CAS: 6334-96-9 Molecular Formula: C8H16Cl2O Molecular Weight (g/mol): 199.115 MDL Number: MFCD00019006 InChI Key: PVBMXMKIKMJQRK-UHFFFAOYSA-N Synonym: bis 4-chlorobutyl ether,4,4'-dichlorodibutyl ether,ether, bis 4-chlorobutyl,4-chlorobutyl ether,di chlorobutyl ether,butane, 1,1'-oxybis 4-chloro,1,1'-oxydi-4-chlorobutane,1,1'-oxybis 4-chlorobutane PubChem CID: 22800 IUPAC Name: 1-chloro-4-(4-chlorobutoxy)butane SMILES: C(CCCl)COCCCCCl
| PubChem CID | 22800 |
|---|---|
| CAS | 6334-96-9 |
| Molecular Weight (g/mol) | 199.115 |
| MDL Number | MFCD00019006 |
| SMILES | C(CCCl)COCCCCCl |
| Synonym | bis 4-chlorobutyl ether,4,4'-dichlorodibutyl ether,ether, bis 4-chlorobutyl,4-chlorobutyl ether,di chlorobutyl ether,butane, 1,1'-oxybis 4-chloro,1,1'-oxydi-4-chlorobutane,1,1'-oxybis 4-chlorobutane |
| IUPAC Name | 1-chloro-4-(4-chlorobutoxy)butane |
| InChI Key | PVBMXMKIKMJQRK-UHFFFAOYSA-N |
| Molecular Formula | C8H16Cl2O |
6-Methoxyindole-2-carboxylic acid, 95%
CAS: 16732-73-3 Molecular Formula: C10H9NO3 Molecular Weight (g/mol): 191.19 MDL Number: MFCD01548823 InChI Key: XNBGANWAZJWOHS-UHFFFAOYSA-N Synonym: 6-methoxyindole-2-carboxylic acid,1h-indole-2-carboxylic acid, 6-methoxy,pubchem1703,zlchem 1017,6-methoxindole-2-carboxylic acid,indole-2-carboxylic acid, 6-methoxy,asinex-reag bas 06489245,6-methoxy-1 h-indole-2-carboxylic acid,# PubChem CID: 410327 IUPAC Name: 6-methoxy-1H-indole-2-carboxylic acid SMILES: COC1=CC=C2C=C(NC2=C1)C(O)=O
| PubChem CID | 410327 |
|---|---|
| CAS | 16732-73-3 |
| Molecular Weight (g/mol) | 191.19 |
| MDL Number | MFCD01548823 |
| SMILES | COC1=CC=C2C=C(NC2=C1)C(O)=O |
| Synonym | 6-methoxyindole-2-carboxylic acid,1h-indole-2-carboxylic acid, 6-methoxy,pubchem1703,zlchem 1017,6-methoxindole-2-carboxylic acid,indole-2-carboxylic acid, 6-methoxy,asinex-reag bas 06489245,6-methoxy-1 h-indole-2-carboxylic acid,# |
| IUPAC Name | 6-methoxy-1H-indole-2-carboxylic acid |
| InChI Key | XNBGANWAZJWOHS-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO3 |
Phorbol 12-myristate 13-acetate, ≥99%, MP Biomedicals™
CAS: 16561-29-8 Molecular Formula: C36H56O8 Molecular Weight (g/mol): 616.84 MDL Number: MFCD00036736 InChI Key: PHEDXBVPIONUQT-RGYGYFBISA-N Synonym: phorbol 12-myristate 13-acetate,phorbol ester,12-o-tetradecanoylphorbol-13-acetate,12-o-tetradecanoylphorbol 13-acetate,factor a1,tetradecanoylphorbol acetate,12-tetradecanoylphorbol 13-acetate,factor a1 croton oil,phorbol 13-acetate 12-myristate,phorbol-12-myristate-13-acetate PubChem CID: 27924 ChEBI: CHEBI:37537 IUPAC Name: (1S,2S,6R,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl tetradecanoate SMILES: CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O
| PubChem CID | 27924 |
|---|---|
| CAS | 16561-29-8 |
| Molecular Weight (g/mol) | 616.84 |
| ChEBI | CHEBI:37537 |
| MDL Number | MFCD00036736 |
| SMILES | CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O |
| Synonym | phorbol 12-myristate 13-acetate,phorbol ester,12-o-tetradecanoylphorbol-13-acetate,12-o-tetradecanoylphorbol 13-acetate,factor a1,tetradecanoylphorbol acetate,12-tetradecanoylphorbol 13-acetate,factor a1 croton oil,phorbol 13-acetate 12-myristate,phorbol-12-myristate-13-acetate |
| IUPAC Name | (1S,2S,6R,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl tetradecanoate |
| InChI Key | PHEDXBVPIONUQT-RGYGYFBISA-N |
| Molecular Formula | C36H56O8 |
Pyrogallol, ACS, 99%
CAS: 87-66-1 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.11 MDL Number: MFCD00002192 InChI Key: WQGWDDDVZFFDIG-UHFFFAOYSA-N Synonym: pyrogallol,1,2,3-trihydroxybenzene,pyrogallic acid,1,2,3-benzenetriol,fouramine brown ap,fourrine pg,fourrine 85,pyro,c.i. oxidation base 32,piral PubChem CID: 1057 ChEBI: CHEBI:16164 IUPAC Name: benzene-1,2,3-triol SMILES: OC1=CC=CC(O)=C1O
| PubChem CID | 1057 |
|---|---|
| CAS | 87-66-1 |
| Molecular Weight (g/mol) | 126.11 |
| ChEBI | CHEBI:16164 |
| MDL Number | MFCD00002192 |
| SMILES | OC1=CC=CC(O)=C1O |
| Synonym | pyrogallol,1,2,3-trihydroxybenzene,pyrogallic acid,1,2,3-benzenetriol,fouramine brown ap,fourrine pg,fourrine 85,pyro,c.i. oxidation base 32,piral |
| IUPAC Name | benzene-1,2,3-triol |
| InChI Key | WQGWDDDVZFFDIG-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3 |
L-(-)-Sorbose, ≥98%, For HPLC analysis, MP Biomedicals™
CAS: 87-79-6 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 InChI Key: BJHIKXHVCXFQLS-OTWZMJIISA-N Synonym: l---sorbose,3s,4r,5s-1,3,4,5,6-pentahydroxyhexan-2-one,sorbinose,keto-l-sorbose,esorben,sorbin,l--sorbose,hsdb 780,l-sorbinose,l-xylo-2-hexulose PubChem CID: 6904 ChEBI: CHEBI:13172 IUPAC Name: (3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O
| PubChem CID | 6904 |
|---|---|
| CAS | 87-79-6 |
| Molecular Weight (g/mol) | 180.156 |
| ChEBI | CHEBI:13172 |
| SMILES | C(C(C(C(C(=O)CO)O)O)O)O |
| Synonym | l---sorbose,3s,4r,5s-1,3,4,5,6-pentahydroxyhexan-2-one,sorbinose,keto-l-sorbose,esorben,sorbin,l--sorbose,hsdb 780,l-sorbinose,l-xylo-2-hexulose |
| IUPAC Name | (3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one |
| InChI Key | BJHIKXHVCXFQLS-OTWZMJIISA-N |
| Molecular Formula | C6H12O6 |
Thenoyltrifluoroacetone, MP Biomedicals™
CAS: 326-91-0 Molecular Formula: C8H5F3O2S Molecular Weight (g/mol): 222.18 MDL Number: MFCD00005445 InChI Key: TXBBUSUXYMIVOS-UHFFFAOYSA-N Synonym: 2-thenoyltrifluoroacetone,thenoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-thienyl,4,4,4-trifluoro-1-thiophen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-thienyl-1,3-butanedione,4,4,4-trifluoro-1-2-thienyl butane-1,3-dione,perfluoroacetyl 2-thenoyl methane,alpha-thenoyltrifluoroacetone,1-thenoyl-3,3,3-trifluoroacetone,.alpha.-thenoyltrifluoroacetone PubChem CID: 5601 IUPAC Name: 4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione SMILES: FC(F)(F)C(=O)CC(=O)C1=CC=CS1
| PubChem CID | 5601 |
|---|---|
| CAS | 326-91-0 |
| Molecular Weight (g/mol) | 222.18 |
| MDL Number | MFCD00005445 |
| SMILES | FC(F)(F)C(=O)CC(=O)C1=CC=CS1 |
| Synonym | 2-thenoyltrifluoroacetone,thenoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-thienyl,4,4,4-trifluoro-1-thiophen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-thienyl-1,3-butanedione,4,4,4-trifluoro-1-2-thienyl butane-1,3-dione,perfluoroacetyl 2-thenoyl methane,alpha-thenoyltrifluoroacetone,1-thenoyl-3,3,3-trifluoroacetone,.alpha.-thenoyltrifluoroacetone |
| IUPAC Name | 4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione |
| InChI Key | TXBBUSUXYMIVOS-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O2S |
L-(+)-Ascorbic Acid, Powder, BAKER ANALYZED™ Biochemical Reagent, J.T. Baker™
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 SMILES: OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
| PubChem CID | 54670067 |
|---|---|
| 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 |
| InChI Key | CIWBSHSKHKDKBQ-DOMZIZNONA-N |
| Molecular Formula | C6H8O6 |