Organooxygen compounds
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Benzyl chloromethyl ether, tech. 70%
CAS: 3587-60-8 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.609 MDL Number: MFCD00000886 InChI Key: LADPCMZCENPFGV-UHFFFAOYSA-N Synonym: benzyl chloromethyl ether,chloromethoxymethyl benzene,chloromethoxy methyl benzene,benzyloxymethyl chloride,chloromethoxymethyl-benzene,benzyl chloromethylether,benzene, chloromethoxy methyl PubChem CID: 137983 IUPAC Name: chloromethoxymethylbenzene SMILES: C1=CC=C(C=C1)COCCl
| PubChem CID | 137983 |
|---|---|
| CAS | 3587-60-8 |
| Molecular Weight (g/mol) | 156.609 |
| MDL Number | MFCD00000886 |
| SMILES | C1=CC=C(C=C1)COCCl |
| Synonym | benzyl chloromethyl ether,chloromethoxymethyl benzene,chloromethoxy methyl benzene,benzyloxymethyl chloride,chloromethoxymethyl-benzene,benzyl chloromethylether,benzene, chloromethoxy methyl |
| IUPAC Name | chloromethoxymethylbenzene |
| InChI Key | LADPCMZCENPFGV-UHFFFAOYSA-N |
| Molecular Formula | C8H9ClO |
Tris(dibenzylideneacetone)dipalladium(0), Pd 21.5% min
CAS: 51364-51-3 Molecular Formula: C51H42O3Pd2 Molecular Weight (g/mol): 915.73 MDL Number: MFCD00013310 InChI Key: CYPYTURSJDMMMP-UHFFFAOYSA-N Synonym: tris dibenzylideneacetone dipalladium 0,tris dibenzylideneacetone dipalladium,pd2 dba 3,tris dibezylideneacetone dipalladium,tris dibenzylideneacetone dipalladium o,tris dibenzylideneacetonyl bis-palladium,tris dba,tris 1e,4e-1,5-diphenylpenta-1,4-dien-3-one dipalladium PubChem CID: 9811564 IUPAC Name: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium SMILES: [Pd].[Pd].O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1
| PubChem CID | 9811564 |
|---|---|
| CAS | 51364-51-3 |
| Molecular Weight (g/mol) | 915.73 |
| MDL Number | MFCD00013310 |
| SMILES | [Pd].[Pd].O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1 |
| Synonym | tris dibenzylideneacetone dipalladium 0,tris dibenzylideneacetone dipalladium,pd2 dba 3,tris dibezylideneacetone dipalladium,tris dibenzylideneacetone dipalladium o,tris dibenzylideneacetonyl bis-palladium,tris dba,tris 1e,4e-1,5-diphenylpenta-1,4-dien-3-one dipalladium |
| IUPAC Name | (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium |
| InChI Key | CYPYTURSJDMMMP-UHFFFAOYSA-N |
| Molecular Formula | C51H42O3Pd2 |
4-Penten-1-ol, 98+%
CAS: 821-09-0 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.134 MDL Number: MFCD00002975 InChI Key: LQAVWYMTUMSFBE-UHFFFAOYSA-N Synonym: 4-penten-1-ol,4-pentenol,4-pentenyl alcohol,2-allylethyl alcohol,unii-w0558tqc6f,4-pentene-1-ol,4-pentenol-1,4-penten-1ol,4penten-1-ol,5-hydroxy-1-pentene PubChem CID: 13181 IUPAC Name: pent-4-en-1-ol SMILES: C=CCCCO
| PubChem CID | 13181 |
|---|---|
| CAS | 821-09-0 |
| Molecular Weight (g/mol) | 86.134 |
| MDL Number | MFCD00002975 |
| SMILES | C=CCCCO |
| Synonym | 4-penten-1-ol,4-pentenol,4-pentenyl alcohol,2-allylethyl alcohol,unii-w0558tqc6f,4-pentene-1-ol,4-pentenol-1,4-penten-1ol,4penten-1-ol,5-hydroxy-1-pentene |
| IUPAC Name | pent-4-en-1-ol |
| InChI Key | LQAVWYMTUMSFBE-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |
2-Bromo-4'-methoxyacetophenone, 98%
CAS: 2632-13-5 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00000201 InChI Key: XQJAHBHCLXUGEP-UHFFFAOYSA-N Synonym: 2-bromo-4'-methoxyacetophenone,2-bromo-1-4-methoxyphenyl ethanone,ethanone, 2-bromo-1-4-methoxyphenyl,p-methoxyphenacyl bromide,4'-methoxyphenacyl bromide,2-bromo-1-4-methoxyphenyl ethan-1-one,4-methoxyphenacyl bromide,bromomethyl 4-methoxyphenyl ketone,alpha-bromo-4-methoxyacetophenone,2-bromo-4-methoxyacetophenone PubChem CID: 4965 IUPAC Name: 2-bromo-1-(4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C=C1)C(=O)CBr
| PubChem CID | 4965 |
|---|---|
| CAS | 2632-13-5 |
| Molecular Weight (g/mol) | 229.07 |
| MDL Number | MFCD00000201 |
| SMILES | COC1=CC=C(C=C1)C(=O)CBr |
| Synonym | 2-bromo-4'-methoxyacetophenone,2-bromo-1-4-methoxyphenyl ethanone,ethanone, 2-bromo-1-4-methoxyphenyl,p-methoxyphenacyl bromide,4'-methoxyphenacyl bromide,2-bromo-1-4-methoxyphenyl ethan-1-one,4-methoxyphenacyl bromide,bromomethyl 4-methoxyphenyl ketone,alpha-bromo-4-methoxyacetophenone,2-bromo-4-methoxyacetophenone |
| IUPAC Name | 2-bromo-1-(4-methoxyphenyl)ethanone |
| InChI Key | XQJAHBHCLXUGEP-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
Biphenyl-4-carboxaldehyde, 98+%
CAS: 3218-36-8 Molecular Formula: C13H10O Molecular Weight (g/mol): 182.22 MDL Number: MFCD00006947 InChI Key: ISDBWOPVZKNQDW-UHFFFAOYSA-N Synonym: 4-biphenylcarboxaldehyde,4-biphenylaldehyde,p-phenylbenzaldehyde,1,1'-biphenyl-4-carbaldehyde,biphenyl-4-carboxaldehyde,4-formylbiphenyl,p-biphenylylaldehyde,1,1'-biphenyl-4-carboxaldehyde,p-biphenylaldehyde,p-biphenylcarboxaldehyde PubChem CID: 76689 IUPAC Name: 4-phenylbenzaldehyde SMILES: O=CC1=CC=C(C=C1)C1=CC=CC=C1
| PubChem CID | 76689 |
|---|---|
| CAS | 3218-36-8 |
| Molecular Weight (g/mol) | 182.22 |
| MDL Number | MFCD00006947 |
| SMILES | O=CC1=CC=C(C=C1)C1=CC=CC=C1 |
| Synonym | 4-biphenylcarboxaldehyde,4-biphenylaldehyde,p-phenylbenzaldehyde,1,1'-biphenyl-4-carbaldehyde,biphenyl-4-carboxaldehyde,4-formylbiphenyl,p-biphenylylaldehyde,1,1'-biphenyl-4-carboxaldehyde,p-biphenylaldehyde,p-biphenylcarboxaldehyde |
| IUPAC Name | 4-phenylbenzaldehyde |
| InChI Key | ISDBWOPVZKNQDW-UHFFFAOYSA-N |
| Molecular Formula | C13H10O |
2,5-Dimethyl-3-hexyne-2,5-diol, (+/-) + meso, 98%
CAS: 142-30-3 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00004468 InChI Key: IHJUECRFYCQBMW-UHFFFAOYSA-N Synonym: 2,5-dimethyl-3-hexyne-2,5-diol,dimethylhexynediol,kemitracin-50,tetramethylbutynediol,acetylenepinacol,3-hexyne-2,5-diol, 2,5-dimethyl,olfine y,tetramethyl-2-butynediol,unii-22rr53u71w,2,5-dimethylhexyne-2,5-diol PubChem CID: 8883 IUPAC Name: 2,5-dimethylhex-3-yne-2,5-diol SMILES: CC(C)(C#CC(C)(C)O)O
| PubChem CID | 8883 |
|---|---|
| CAS | 142-30-3 |
| Molecular Weight (g/mol) | 142.198 |
| MDL Number | MFCD00004468 |
| SMILES | CC(C)(C#CC(C)(C)O)O |
| Synonym | 2,5-dimethyl-3-hexyne-2,5-diol,dimethylhexynediol,kemitracin-50,tetramethylbutynediol,acetylenepinacol,3-hexyne-2,5-diol, 2,5-dimethyl,olfine y,tetramethyl-2-butynediol,unii-22rr53u71w,2,5-dimethylhexyne-2,5-diol |
| IUPAC Name | 2,5-dimethylhex-3-yne-2,5-diol |
| InChI Key | IHJUECRFYCQBMW-UHFFFAOYSA-N |
| Molecular Formula | C8H14O2 |
Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)gadolinium(III)
CAS: 14768-15-1 Molecular Formula: C33H57GdO6 Molecular Weight (g/mol): 707.06 MDL Number: MFCD00010349 InChI Key: UIVVGOMXFUOLAN-UHFFFAOYSA-N Synonym: tris 2,2,6,6-tetramethyl-3,5-heptanedionate gadolinium PubChem CID: 132984032 IUPAC Name: gadolinium;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one SMILES: [Gd+3].CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C
| PubChem CID | 132984032 |
|---|---|
| CAS | 14768-15-1 |
| Molecular Weight (g/mol) | 707.06 |
| MDL Number | MFCD00010349 |
| SMILES | [Gd+3].CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C |
| Synonym | tris 2,2,6,6-tetramethyl-3,5-heptanedionate gadolinium |
| IUPAC Name | gadolinium;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one |
| InChI Key | UIVVGOMXFUOLAN-UHFFFAOYSA-N |
| Molecular Formula | C33H57GdO6 |
3-Benzylidene-2,4-pentanedione, 97%
CAS: 4335-90-4 Molecular Formula: C12H12O2 Molecular Weight (g/mol): 188.23 MDL Number: MFCD00014990 InChI Key: NYRGMNMVISROGJ-UHFFFAOYSA-N Synonym: 3-benzylidene-2,4-pentanedione,benzalacetylacetone,benzylidene acetylacetone,3-benzylideneacetylacetone,2,4-pentanedione, 3-phenylmethylene,1,1-diacetyl-2-phenylethylene,2,2-diacetylvinyl benzene,2-acetyl-1-phenyl but-1-en-3-one,2,4-pentanedione, 3-benzylidene,3-benzylidene acetylacetone PubChem CID: 95782 IUPAC Name: 3-benzylidenepentane-2,4-dione SMILES: CC(=O)C(=CC1=CC=CC=C1)C(C)=O
| PubChem CID | 95782 |
|---|---|
| CAS | 4335-90-4 |
| Molecular Weight (g/mol) | 188.23 |
| MDL Number | MFCD00014990 |
| SMILES | CC(=O)C(=CC1=CC=CC=C1)C(C)=O |
| Synonym | 3-benzylidene-2,4-pentanedione,benzalacetylacetone,benzylidene acetylacetone,3-benzylideneacetylacetone,2,4-pentanedione, 3-phenylmethylene,1,1-diacetyl-2-phenylethylene,2,2-diacetylvinyl benzene,2-acetyl-1-phenyl but-1-en-3-one,2,4-pentanedione, 3-benzylidene,3-benzylidene acetylacetone |
| IUPAC Name | 3-benzylidenepentane-2,4-dione |
| InChI Key | NYRGMNMVISROGJ-UHFFFAOYSA-N |
| Molecular Formula | C12H12O2 |
4-Methyl-2-oxovaleric acid, 94%
CAS: 816-66-0 Molecular Formula: C6H9NaO3 Molecular Weight (g/mol): 152.13 MDL Number: MFCD00066204 InChI Key: IXFAZKRLPPMQEO-UHFFFAOYSA-M Synonym: 4-methyl-2-oxovaleric acid,alpha-ketoisocaproic acid,ketoleucine,alpha-ketoisocaproate,pentanoic acid, 4-methyl-2-oxo,2-oxoisocaproate,2-oxo-4-methylpentanoic acid,ketoisocaproate,2-oxoisohexanoate,4-methyl-2-oxopentanoate PubChem CID: 70 ChEBI: CHEBI:48430 SMILES: [Na+].CC(C)CC(=O)C([O-])=O
| PubChem CID | 70 |
|---|---|
| CAS | 816-66-0 |
| Molecular Weight (g/mol) | 152.13 |
| ChEBI | CHEBI:48430 |
| MDL Number | MFCD00066204 |
| SMILES | [Na+].CC(C)CC(=O)C([O-])=O |
| Synonym | 4-methyl-2-oxovaleric acid,alpha-ketoisocaproic acid,ketoleucine,alpha-ketoisocaproate,pentanoic acid, 4-methyl-2-oxo,2-oxoisocaproate,2-oxo-4-methylpentanoic acid,ketoisocaproate,2-oxoisohexanoate,4-methyl-2-oxopentanoate |
| InChI Key | IXFAZKRLPPMQEO-UHFFFAOYSA-M |
| Molecular Formula | C6H9NaO3 |
Ethyl 2-acetyl-3-(dimethylamino)acrylate, 95%, Thermo Scientific Chemicals
CAS: 51145-57-4 Molecular Formula: C9H15NO3 Molecular Weight (g/mol): 185.223 MDL Number: MFCD00087563 InChI Key: LQSOVGAUOHMPLK-SOFGYWHQSA-N PubChem CID: 2763877 IUPAC Name: ethyl (2E)-2-(dimethylaminomethylidene)-3-oxobutanoate SMILES: CCOC(=O)C(=CN(C)C)C(=O)C
| PubChem CID | 2763877 |
|---|---|
| CAS | 51145-57-4 |
| Molecular Weight (g/mol) | 185.223 |
| MDL Number | MFCD00087563 |
| SMILES | CCOC(=O)C(=CN(C)C)C(=O)C |
| IUPAC Name | ethyl (2E)-2-(dimethylaminomethylidene)-3-oxobutanoate |
| InChI Key | LQSOVGAUOHMPLK-SOFGYWHQSA-N |
| Molecular Formula | C9H15NO3 |
Oleyl Alcohol, Approx. 99%, MP Biomedicals™
CAS: 143-28-2 Molecular Formula: C18H36O Molecular Weight (g/mol): 268.49 MDL Number: MFCD00002993 InChI Key: ALSTYHKOOCGGFT-KTKRTIGZSA-N Synonym: oleyl alcohol,cis-9-octadecen-1-ol,z-octadec-9-en-1-ol,ocenol,conditioner 1,dermaffine,lancol,novol,oceol,oleol PubChem CID: 5284499 ChEBI: CHEBI:73504 IUPAC Name: (9Z)-octadec-9-en-1-ol SMILES: CCCCCCCC\C=C/CCCCCCCCO
| PubChem CID | 5284499 |
|---|---|
| CAS | 143-28-2 |
| Molecular Weight (g/mol) | 268.49 |
| ChEBI | CHEBI:73504 |
| MDL Number | MFCD00002993 |
| SMILES | CCCCCCCC\C=C/CCCCCCCCO |
| Synonym | oleyl alcohol,cis-9-octadecen-1-ol,z-octadec-9-en-1-ol,ocenol,conditioner 1,dermaffine,lancol,novol,oceol,oleol |
| IUPAC Name | (9Z)-octadec-9-en-1-ol |
| InChI Key | ALSTYHKOOCGGFT-KTKRTIGZSA-N |
| Molecular Formula | C18H36O |
4'-Bromo-2'-hydroxyacetophenone, 95%
CAS: 30186-18-6 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD03428533 InChI Key: LQCMMXGKEGWUIM-UHFFFAOYSA-N Synonym: 1-4-bromo-2-hydroxyphenyl ethanone,4'-bromo-2'-hydroxyacetophenone,4-bromo-2-hydroxyacetophenone,1-4-bromo-2-hydroxyphenyl ethan-1-one,acetophenone,2-hydroxy-4-bromo,ethanone, 1-4-bromo-2-hydroxyphenyl,2-acetyl-5-bromophenol,1-4-bromo-2-hydroxy-phenyl ethanone,1-4-bromo-2-hydroxy-phenyl-ethanone PubChem CID: 10727403 IUPAC Name: 1-(4-bromo-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=C(O)C=C(Br)C=C1
| PubChem CID | 10727403 |
|---|---|
| CAS | 30186-18-6 |
| Molecular Weight (g/mol) | 215.05 |
| MDL Number | MFCD03428533 |
| SMILES | CC(=O)C1=C(O)C=C(Br)C=C1 |
| Synonym | 1-4-bromo-2-hydroxyphenyl ethanone,4'-bromo-2'-hydroxyacetophenone,4-bromo-2-hydroxyacetophenone,1-4-bromo-2-hydroxyphenyl ethan-1-one,acetophenone,2-hydroxy-4-bromo,ethanone, 1-4-bromo-2-hydroxyphenyl,2-acetyl-5-bromophenol,1-4-bromo-2-hydroxy-phenyl ethanone,1-4-bromo-2-hydroxy-phenyl-ethanone |
| IUPAC Name | 1-(4-bromo-2-hydroxyphenyl)ethanone |
| InChI Key | LQCMMXGKEGWUIM-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
3,5-Dimethylisoxazole-4-carboxaldehyde, 97%
CAS: 54593-26-9 Molecular Formula: C6H7NO2 Molecular Weight (g/mol): 125.127 MDL Number: MFCD02681977 InChI Key: TVAYXKLCEILMEA-UHFFFAOYSA-N Synonym: 3,5-dimethyl-4-isoxazolecarbaldehyde,3,5-dimethylisoxazole-4-carbaldehyde,3,5-dimethylisoxazole-4-carboxaldehyde,4-isoxazolecarboxaldehyde, 3,5-dimethyl,3,5-dimethyl-4-isoxazolecarboxaldehyde,3,5-dimethyl-4-formalisoxazole,pubchem8682,acmc-1axd1,ksc496e3j,3,5-dimethylisoxazol-4-carbaldehyde PubChem CID: 289576 IUPAC Name: 3,5-dimethyl-1,2-oxazole-4-carbaldehyde SMILES: CC1=C(C(=NO1)C)C=O
| PubChem CID | 289576 |
|---|---|
| CAS | 54593-26-9 |
| Molecular Weight (g/mol) | 125.127 |
| MDL Number | MFCD02681977 |
| SMILES | CC1=C(C(=NO1)C)C=O |
| Synonym | 3,5-dimethyl-4-isoxazolecarbaldehyde,3,5-dimethylisoxazole-4-carbaldehyde,3,5-dimethylisoxazole-4-carboxaldehyde,4-isoxazolecarboxaldehyde, 3,5-dimethyl,3,5-dimethyl-4-isoxazolecarboxaldehyde,3,5-dimethyl-4-formalisoxazole,pubchem8682,acmc-1axd1,ksc496e3j,3,5-dimethylisoxazol-4-carbaldehyde |
| IUPAC Name | 3,5-dimethyl-1,2-oxazole-4-carbaldehyde |
| InChI Key | TVAYXKLCEILMEA-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO2 |
Phorbol 12-Myristate 13-acetate, ∽99%, Molecular biology reagent grade, 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 |
3,4-Dihydro-2H-1,5-benzodioxepine-7-carboxylic acid, 97%, Thermo Scientific™
CAS: 20825-89-2 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00276310 InChI Key: MQSSBVLREFSMDP-UHFFFAOYSA-N Synonym: 3,4-dihydro-2h-benzo b 1,4 dioxepine-7-carboxylic acid,3,4-dihydro-2h-1,5-benzodioxepin-7-carboxylic acid,2h-1,5-benzodioxepin-7-carboxylic acid, 3,4-dihydro,2h,3h,4h-benzo b 1,4-dioxepin-7-carboxylic acid,acmc-1crio,7-carboxy-3,4-dihydro-2h-1,5-benzodioxepine,2h-1,5-benzodioxepin-7-carboxylicacid, 3,4-dihydro,2h-1,5-benzodioxepin-7-carboxylicacid,3,4-dihydro PubChem CID: 2776383 IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid SMILES: C1COC2=C(C=C(C=C2)C(=O)O)OC1
| PubChem CID | 2776383 |
|---|---|
| CAS | 20825-89-2 |
| Molecular Weight (g/mol) | 194.186 |
| MDL Number | MFCD00276310 |
| SMILES | C1COC2=C(C=C(C=C2)C(=O)O)OC1 |
| Synonym | 3,4-dihydro-2h-benzo b 1,4 dioxepine-7-carboxylic acid,3,4-dihydro-2h-1,5-benzodioxepin-7-carboxylic acid,2h-1,5-benzodioxepin-7-carboxylic acid, 3,4-dihydro,2h,3h,4h-benzo b 1,4-dioxepin-7-carboxylic acid,acmc-1crio,7-carboxy-3,4-dihydro-2h-1,5-benzodioxepine,2h-1,5-benzodioxepin-7-carboxylicacid, 3,4-dihydro,2h-1,5-benzodioxepin-7-carboxylicacid,3,4-dihydro |
| IUPAC Name | 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid |
| InChI Key | MQSSBVLREFSMDP-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |