
Organooxygen compounds
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2'-Chloro-6'-fluoroacetophenone, 97%, Thermo Scientific™
CAS: 87327-69-3 Molecular Formula: C8H6ClFO Molecular Weight (g/mol): 172.58 MDL Number: MFCD01631390 InChI Key: DNVGZKIRMBCQEQ-UHFFFAOYSA-N PubChem CID: 2773578 SMILES: CC(=O)C1=C(F)C=CC=C1Cl
PubChem CID | 2773578 |
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CAS | 87327-69-3 |
Molecular Weight (g/mol) | 172.58 |
MDL Number | MFCD01631390 |
SMILES | CC(=O)C1=C(F)C=CC=C1Cl |
InChI Key | DNVGZKIRMBCQEQ-UHFFFAOYSA-N |
Molecular Formula | C8H6ClFO |
Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate, 99+%
CAS: 6289-46-9 Molecular Formula: C10H12O6 Molecular Weight (g/mol): 228.20 MDL Number: MFCD00001607 InChI Key: MHKKFFHWMKEBDW-UHFFFAOYNA-N Synonym: dimethyl succinylsuccinate,dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate,succinosuccinic acid, dimethyl ester,dmss,dimethyl succinylosuccinate,dimethyl 2,5-dioxo-1,4-cyclohexanedicarboxylate,dimethyl succinylo succinate,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester,2,5-dioxo-1,4-cyclohexanedicarboxylic acid dimethyl ester,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester PubChem CID: 94866 SMILES: COC(=O)C1CC(=O)C(CC1=O)C(=O)OC
PubChem CID | 94866 |
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CAS | 6289-46-9 |
Molecular Weight (g/mol) | 228.20 |
MDL Number | MFCD00001607 |
SMILES | COC(=O)C1CC(=O)C(CC1=O)C(=O)OC |
Synonym | dimethyl succinylsuccinate,dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate,succinosuccinic acid, dimethyl ester,dmss,dimethyl succinylosuccinate,dimethyl 2,5-dioxo-1,4-cyclohexanedicarboxylate,dimethyl succinylo succinate,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester,2,5-dioxo-1,4-cyclohexanedicarboxylic acid dimethyl ester,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester |
InChI Key | MHKKFFHWMKEBDW-UHFFFAOYNA-N |
Molecular Formula | C10H12O6 |
2-Bromo-4'-phenylacetophenone, 97%
CAS: 135-73-9 Molecular Formula: C14H11BrO Molecular Weight (g/mol): 275.145 MDL Number: MFCD00000202 InChI Key: KGHGZRVXCKCJGX-UHFFFAOYSA-N Synonym: 2-bromo-4'-phenylacetophenone,4-phenylphenacyl bromide,p-bromoacetylbiphenyl,p-phenylphenacyl bromide,bromomethyl p-biphenylyl ketone,ethanone, 1-1,1'-biphenyl-4-yl-2-bromo,2-bromo-1-4-phenylphenyl ethan-1-one,acetophenone, 2-bromo-4'-phenyl,alpha-bromo-p-phenylacetophenone,omega-bromo-4-phenylacetophenone PubChem CID: 67282 IUPAC Name: 2-bromo-1-(4-phenylphenyl)ethanone SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CBr
PubChem CID | 67282 |
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CAS | 135-73-9 |
Molecular Weight (g/mol) | 275.145 |
MDL Number | MFCD00000202 |
SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CBr |
Synonym | 2-bromo-4'-phenylacetophenone,4-phenylphenacyl bromide,p-bromoacetylbiphenyl,p-phenylphenacyl bromide,bromomethyl p-biphenylyl ketone,ethanone, 1-1,1'-biphenyl-4-yl-2-bromo,2-bromo-1-4-phenylphenyl ethan-1-one,acetophenone, 2-bromo-4'-phenyl,alpha-bromo-p-phenylacetophenone,omega-bromo-4-phenylacetophenone |
IUPAC Name | 2-bromo-1-(4-phenylphenyl)ethanone |
InChI Key | KGHGZRVXCKCJGX-UHFFFAOYSA-N |
Molecular Formula | C14H11BrO |
Ethoxyacetic acid, 98%
CAS: 627-03-2 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.105 MDL Number: MFCD00004310 InChI Key: YZGQDNOIGFBYKF-UHFFFAOYSA-N Synonym: ethoxyacetic acid,acetic acid, ethoxy,ethoxy acetic acid,acetic acid, 2-ethoxy,ethoxy-acetic acid,unii-467vw095bx,o-ethylglycolic acid,ccris 7194,2-ethoxy-acetic acid,dsstox_cid_11294 PubChem CID: 12301 IUPAC Name: 2-ethoxyacetic acid SMILES: CCOCC(=O)O
PubChem CID | 12301 |
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CAS | 627-03-2 |
Molecular Weight (g/mol) | 104.105 |
MDL Number | MFCD00004310 |
SMILES | CCOCC(=O)O |
Synonym | ethoxyacetic acid,acetic acid, ethoxy,ethoxy acetic acid,acetic acid, 2-ethoxy,ethoxy-acetic acid,unii-467vw095bx,o-ethylglycolic acid,ccris 7194,2-ethoxy-acetic acid,dsstox_cid_11294 |
IUPAC Name | 2-ethoxyacetic acid |
InChI Key | YZGQDNOIGFBYKF-UHFFFAOYSA-N |
Molecular Formula | C4H8O3 |
2,2'-Thenil, 98%
CAS: 7333-07-5 Molecular Formula: C10H6O2S2 Molecular Weight (g/mol): 222.28 MDL Number: MFCD00173678 InChI Key: UNWKVSDABPCZMK-UHFFFAOYSA-N Synonym: 2,2'-thenil,1,2-di thiophen-2-yl ethane-1,2-dione,bis thiophen-2-yl ethane-1,2-dione,ethanedione, di-2-thienyl,1,2-di 2-thienyl-1,2-ethanedione,1,2-di 2-thienyl ethane-1,2-dione,1,2-di-thiophen-2-yl-ethane-1,2-dione,5-alpha-thenil,dithienylethanedione,2,2'-bithenoyl PubChem CID: 275005 IUPAC Name: 1,2-dithiophen-2-ylethane-1,2-dione SMILES: C1=CSC(=C1)C(=O)C(=O)C2=CC=CS2
PubChem CID | 275005 |
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CAS | 7333-07-5 |
Molecular Weight (g/mol) | 222.28 |
MDL Number | MFCD00173678 |
SMILES | C1=CSC(=C1)C(=O)C(=O)C2=CC=CS2 |
Synonym | 2,2'-thenil,1,2-di thiophen-2-yl ethane-1,2-dione,bis thiophen-2-yl ethane-1,2-dione,ethanedione, di-2-thienyl,1,2-di 2-thienyl-1,2-ethanedione,1,2-di 2-thienyl ethane-1,2-dione,1,2-di-thiophen-2-yl-ethane-1,2-dione,5-alpha-thenil,dithienylethanedione,2,2'-bithenoyl |
IUPAC Name | 1,2-dithiophen-2-ylethane-1,2-dione |
InChI Key | UNWKVSDABPCZMK-UHFFFAOYSA-N |
Molecular Formula | C10H6O2S2 |
1-Adamantanol, 99%
CAS: 768-95-6 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.237 MDL Number: MFCD00074729 InChI Key: VLLNJDMHDJRNFK-UHFFFAOYSA-N Synonym: 1-adamantanol,1-hydroxyadamantane,1-adamantol,adamantanol,tricyclo 3.3.1.1 3,7 decan-1-ol,tricyclo 3.3.1.1∼3,7∼ decan-1-ol,1-adamantanol 1-hydroxyadamantane,tricyclo 3.3.1.13,7 decan-1-ol,3r,5s,7s-adamantan-1-ol PubChem CID: 64152 IUPAC Name: adamantan-1-ol SMILES: C1C2CC3CC1CC(C2)(C3)O
PubChem CID | 64152 |
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CAS | 768-95-6 |
Molecular Weight (g/mol) | 152.237 |
MDL Number | MFCD00074729 |
SMILES | C1C2CC3CC1CC(C2)(C3)O |
Synonym | 1-adamantanol,1-hydroxyadamantane,1-adamantol,adamantanol,tricyclo 3.3.1.1 3,7 decan-1-ol,tricyclo 3.3.1.1∼3,7∼ decan-1-ol,1-adamantanol 1-hydroxyadamantane,tricyclo 3.3.1.13,7 decan-1-ol,3r,5s,7s-adamantan-1-ol |
IUPAC Name | adamantan-1-ol |
InChI Key | VLLNJDMHDJRNFK-UHFFFAOYSA-N |
Molecular Formula | C10H16O |
2',6'-Difluoroacetophenone, 98%
CAS: 13670-99-0 Molecular Formula: C8H6F2O Molecular Weight (g/mol): 156.13 MDL Number: MFCD00000328 InChI Key: VGIIILXIQLXVLC-UHFFFAOYSA-N Synonym: 2',6'-difluoroacetophenone,1-2,6-difluorophenyl ethanone,2,6-difluoroacetophenone,1-2,6-difluorophenyl ethan-1-one,ethanone, 1-2,6-difluorophenyl,acetophenone, 2',6'-difluoro,1-acetyl-2,6-difluorobenzene,fr cf bv1,pubchem4218,intermediates-zcf02054 PubChem CID: 83643 SMILES: CC(=O)C1=C(F)C=CC=C1F
PubChem CID | 83643 |
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CAS | 13670-99-0 |
Molecular Weight (g/mol) | 156.13 |
MDL Number | MFCD00000328 |
SMILES | CC(=O)C1=C(F)C=CC=C1F |
Synonym | 2',6'-difluoroacetophenone,1-2,6-difluorophenyl ethanone,2,6-difluoroacetophenone,1-2,6-difluorophenyl ethan-1-one,ethanone, 1-2,6-difluorophenyl,acetophenone, 2',6'-difluoro,1-acetyl-2,6-difluorobenzene,fr cf bv1,pubchem4218,intermediates-zcf02054 |
InChI Key | VGIIILXIQLXVLC-UHFFFAOYSA-N |
Molecular Formula | C8H6F2O |
2-Ketoglutaric acid, 98%
CAS: 328-50-7 Molecular Formula: C5H6O5 Molecular Weight (g/mol): 146.098 MDL Number: MFCD00004165 InChI Key: KPGXRSRHYNQIFN-UHFFFAOYSA-N Synonym: 2-ketoglutaric acid,alpha-ketoglutaric acid,2-oxoglutaric acid,2-oxoglutarate,oxoglutaric acid,alpha-ketoglutarate,2-ketoglutarate,alphaketoglutaric acid,alpha-oxoglutaric acid,2-oxo-1,5-pentanedioic acid PubChem CID: 51 ChEBI: CHEBI:30915 IUPAC Name: 2-oxopentanedioic acid SMILES: C(CC(=O)O)C(=O)C(=O)O
PubChem CID | 51 |
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CAS | 328-50-7 |
Molecular Weight (g/mol) | 146.098 |
ChEBI | CHEBI:30915 |
MDL Number | MFCD00004165 |
SMILES | C(CC(=O)O)C(=O)C(=O)O |
Synonym | 2-ketoglutaric acid,alpha-ketoglutaric acid,2-oxoglutaric acid,2-oxoglutarate,oxoglutaric acid,alpha-ketoglutarate,2-ketoglutarate,alphaketoglutaric acid,alpha-oxoglutaric acid,2-oxo-1,5-pentanedioic acid |
IUPAC Name | 2-oxopentanedioic acid |
InChI Key | KPGXRSRHYNQIFN-UHFFFAOYSA-N |
Molecular Formula | C5H6O5 |
3',5'-Bis(trifluoromethyl)acetophenone, 98%
CAS: 30071-93-3 Molecular Formula: C10H6F6O Molecular Weight (g/mol): 256.15 MDL Number: MFCD00009910 InChI Key: MCYCSIKSZLARBD-UHFFFAOYSA-N Synonym: 3',5'-bis trifluoromethyl acetophenone,3,5-bis trifluoromethyl acetophenone,1-3,5-bis trifluoromethyl phenyl ethanone,1-3,5-bis trifluoromethyl phenyl ethan-1-one,mbt-ac,1-3,5-di trifluoromethyl phenyl ethan-1-one,3,5-ditrifluoromethylacetophenone,3',5'-bis-trifluoromethylacetophenone PubChem CID: 121616 SMILES: CC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
PubChem CID | 121616 |
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CAS | 30071-93-3 |
Molecular Weight (g/mol) | 256.15 |
MDL Number | MFCD00009910 |
SMILES | CC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
Synonym | 3',5'-bis trifluoromethyl acetophenone,3,5-bis trifluoromethyl acetophenone,1-3,5-bis trifluoromethyl phenyl ethanone,1-3,5-bis trifluoromethyl phenyl ethan-1-one,mbt-ac,1-3,5-di trifluoromethyl phenyl ethan-1-one,3,5-ditrifluoromethylacetophenone,3',5'-bis-trifluoromethylacetophenone |
InChI Key | MCYCSIKSZLARBD-UHFFFAOYSA-N |
Molecular Formula | C10H6F6O |
2,2-Dimethyl-1,3-propanediol, 99%
CAS: 126-30-7 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00004685 InChI Key: SLCVBVWXLSEKPL-UHFFFAOYSA-N Synonym: neopentyl glycol,2,2-dimethyl-1,3-propanediol,dimethylolpropane,neopentylene glycol,neopentanediol,neopentylglycol,1,3-propanediol, 2,2-dimethyl,neol,hydroxypivalyl alcohol,dimethyltrimethylene glycol PubChem CID: 31344 IUPAC Name: 2,2-dimethylpropane-1,3-diol SMILES: CC(C)(CO)CO
PubChem CID | 31344 |
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CAS | 126-30-7 |
Molecular Weight (g/mol) | 104.15 |
MDL Number | MFCD00004685 |
SMILES | CC(C)(CO)CO |
Synonym | neopentyl glycol,2,2-dimethyl-1,3-propanediol,dimethylolpropane,neopentylene glycol,neopentanediol,neopentylglycol,1,3-propanediol, 2,2-dimethyl,neol,hydroxypivalyl alcohol,dimethyltrimethylene glycol |
IUPAC Name | 2,2-dimethylpropane-1,3-diol |
InChI Key | SLCVBVWXLSEKPL-UHFFFAOYSA-N |
Molecular Formula | C5H12O2 |
Pyridine-4-carboxaldehyde, 97%
CAS: 872-85-5 Molecular Formula: C6H5NO Molecular Weight (g/mol): 107.112 MDL Number: MFCD00006425 InChI Key: BGUWFUQJCDRPTL-UHFFFAOYSA-N Synonym: 4-pyridinecarboxaldehyde,isonicotinaldehyde,4-formylpyridine,isonicotinic aldehyde,p-pyridinealdehyde,pyridine-4-carboxaldehyde,4-pyridinealdehyde,4-pyridylaldehyde,4-pyridinecarbaldehyde,pyridine-4-aldehyde PubChem CID: 13389 IUPAC Name: pyridine-4-carbaldehyde SMILES: C1=CN=CC=C1C=O
PubChem CID | 13389 |
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CAS | 872-85-5 |
Molecular Weight (g/mol) | 107.112 |
MDL Number | MFCD00006425 |
SMILES | C1=CN=CC=C1C=O |
Synonym | 4-pyridinecarboxaldehyde,isonicotinaldehyde,4-formylpyridine,isonicotinic aldehyde,p-pyridinealdehyde,pyridine-4-carboxaldehyde,4-pyridinealdehyde,4-pyridylaldehyde,4-pyridinecarbaldehyde,pyridine-4-aldehyde |
IUPAC Name | pyridine-4-carbaldehyde |
InChI Key | BGUWFUQJCDRPTL-UHFFFAOYSA-N |
Molecular Formula | C6H5NO |
1-Bromopinacolone, 97+%
CAS: 5469-26-1 Molecular Formula: C6H11BrO Molecular Weight (g/mol): 179.057 MDL Number: MFCD00000206 InChI Key: SAIRZMWXVJEBMO-UHFFFAOYSA-N Synonym: 1-bromopinacolone,bromopinacolone,1-bromo-3,3-dimethyl-2-butanone,1-bromopinacolin,bromopinacolin,bromomethyl tert-butyl ketone,pivaloylmethyl bromide,tert-butyl bromomethyl ketone,2-butanone, 1-bromo-3,3-dimethyl,omega-brompinakolin german PubChem CID: 21642 IUPAC Name: 1-bromo-3,3-dimethylbutan-2-one SMILES: CC(C)(C)C(=O)CBr
PubChem CID | 21642 |
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CAS | 5469-26-1 |
Molecular Weight (g/mol) | 179.057 |
MDL Number | MFCD00000206 |
SMILES | CC(C)(C)C(=O)CBr |
Synonym | 1-bromopinacolone,bromopinacolone,1-bromo-3,3-dimethyl-2-butanone,1-bromopinacolin,bromopinacolin,bromomethyl tert-butyl ketone,pivaloylmethyl bromide,tert-butyl bromomethyl ketone,2-butanone, 1-bromo-3,3-dimethyl,omega-brompinakolin german |
IUPAC Name | 1-bromo-3,3-dimethylbutan-2-one |
InChI Key | SAIRZMWXVJEBMO-UHFFFAOYSA-N |
Molecular Formula | C6H11BrO |
2-(1-Naphthyl)ethanol, 95%, Thermo Scientific Chemicals
CAS: 773-99-9 Molecular Formula: C12H12O Molecular Weight (g/mol): 172.227 MDL Number: MFCD00004050 InChI Key: RXWNCMHRJCOWDK-UHFFFAOYSA-N Synonym: 1-naphthaleneethanol,2-1-naphthyl ethanol,2-naphthalen-1-yl ethanol,1-2-hydroxyethyl naphthalene,naphthalen-1-ethanol,2-naphthylethanol,1-naphthyl ethanol,1-naphthalene ethanol,2-naphthalen-1-yl ethan-1-ol,1-napthaleneethanol PubChem CID: 13047 IUPAC Name: 2-naphthalen-1-ylethanol SMILES: C1=CC=C2C(=C1)C=CC=C2CCO
PubChem CID | 13047 |
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CAS | 773-99-9 |
Molecular Weight (g/mol) | 172.227 |
MDL Number | MFCD00004050 |
SMILES | C1=CC=C2C(=C1)C=CC=C2CCO |
Synonym | 1-naphthaleneethanol,2-1-naphthyl ethanol,2-naphthalen-1-yl ethanol,1-2-hydroxyethyl naphthalene,naphthalen-1-ethanol,2-naphthylethanol,1-naphthyl ethanol,1-naphthalene ethanol,2-naphthalen-1-yl ethan-1-ol,1-napthaleneethanol |
IUPAC Name | 2-naphthalen-1-ylethanol |
InChI Key | RXWNCMHRJCOWDK-UHFFFAOYSA-N |
Molecular Formula | C12H12O |
3,4-Dihydro-2H-1,5-benzodioxepin-7-carboxylic acid, 98%
CAS: 33632-74-5 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00276310 InChI Key: BYYFEADAQZCIGM-UHFFFAOYSA-N Synonym: 3,4-dihydro-2h-benzo b 1,4 dioxepine-2-carboxylic acid,2h-1,5-benzodioxepin-2-carboxylicacid, 3,4-dihydro,3,4-dihydro-2h-1,5-benzodioxepine-2-carboxylic acid,2h-1,5-benzodioxepin-2-carboxylic acid, 3,4-dihydro,3,4-dihydro-2h-1,5-benzodioxepin-7-carboxylicacid PubChem CID: 53708627 IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepine-4-carboxylic acid SMILES: C1COC2=CC=CC=C2OC1C(=O)O
PubChem CID | 53708627 |
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CAS | 33632-74-5 |
Molecular Weight (g/mol) | 194.186 |
MDL Number | MFCD00276310 |
SMILES | C1COC2=CC=CC=C2OC1C(=O)O |
Synonym | 3,4-dihydro-2h-benzo b 1,4 dioxepine-2-carboxylic acid,2h-1,5-benzodioxepin-2-carboxylicacid, 3,4-dihydro,3,4-dihydro-2h-1,5-benzodioxepine-2-carboxylic acid,2h-1,5-benzodioxepin-2-carboxylic acid, 3,4-dihydro,3,4-dihydro-2h-1,5-benzodioxepin-7-carboxylicacid |
IUPAC Name | 3,4-dihydro-2H-1,5-benzodioxepine-4-carboxylic acid |
InChI Key | BYYFEADAQZCIGM-UHFFFAOYSA-N |
Molecular Formula | C10H10O4 |
CAS | 5193-03-3 |
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MDL Number | MFCD00214724 |