Organooxygen compounds
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Diethyl 1,3-Acetonedicarboxylate 95.0+%, TCI America™
CAS: 105-50-0 Molecular Formula: C9H14O5 Molecular Weight (g/mol): 202.21 MDL Number: MFCD00009200 InChI Key: ZSANYRMTSBBUCA-UHFFFAOYSA-N Synonym: diethyl 1,3-acetonedicarboxylate,diethyl 3-oxoglutarate,1,5-diethyl 3-oxopentanedioate,pentanedioic acid, 3-oxo-, diethyl ester,ethyl acetonedicarboxylate,ethyl 3-oxoglutarate,diethyl acetone-1,3-dicarboxylate,diethyl acetone dicarboxylate,3-oxopentanedioic acid diethyl ester,acetonedicarboxylic acid diethyl ester PubChem CID: 66045 IUPAC Name: 1,5-diethyl 3-oxopentanedioate SMILES: CCOC(=O)CC(=O)CC(=O)OCC
| PubChem CID | 66045 |
|---|---|
| CAS | 105-50-0 |
| Molecular Weight (g/mol) | 202.21 |
| MDL Number | MFCD00009200 |
| SMILES | CCOC(=O)CC(=O)CC(=O)OCC |
| Synonym | diethyl 1,3-acetonedicarboxylate,diethyl 3-oxoglutarate,1,5-diethyl 3-oxopentanedioate,pentanedioic acid, 3-oxo-, diethyl ester,ethyl acetonedicarboxylate,ethyl 3-oxoglutarate,diethyl acetone-1,3-dicarboxylate,diethyl acetone dicarboxylate,3-oxopentanedioic acid diethyl ester,acetonedicarboxylic acid diethyl ester |
| IUPAC Name | 1,5-diethyl 3-oxopentanedioate |
| InChI Key | ZSANYRMTSBBUCA-UHFFFAOYSA-N |
| Molecular Formula | C9H14O5 |
3-(Dimethylamino)propiophenone Hydrochloride 98.0+%, TCI America™
CAS: 879-72-1 Molecular Formula: C11H16ClNO Molecular Weight (g/mol): 213.705 MDL Number: MFCD00012481 InChI Key: DKNDBIIKSJWQFL-UHFFFAOYSA-N Synonym: 3-dimethylaminopropiophenone hydrochloride,3-dimethylamino-1-phenylpropan-1-one hydrochloride,3-dimethylamino propiophenone hydrochloride,beta-dimethylaminopropiophenone hydrochloride,1-propanone, 3-dimethylamino-1-phenyl-, hydrochloride,nsc 89,dimethylaminoethylphenylketone hydrochloride,propiophenone, 3-dimethylamino-, hydrochloride,1-propanone, 3-dimethylamino-1-phenyl-, hydrochloride 1:1,wln: 1n1&2vr &gh PubChem CID: 92844 IUPAC Name: 3-(dimethylamino)-1-phenylpropan-1-one;hydrochloride SMILES: CN(C)CCC(=O)C1=CC=CC=C1.Cl
| PubChem CID | 92844 |
|---|---|
| CAS | 879-72-1 |
| Molecular Weight (g/mol) | 213.705 |
| MDL Number | MFCD00012481 |
| SMILES | CN(C)CCC(=O)C1=CC=CC=C1.Cl |
| Synonym | 3-dimethylaminopropiophenone hydrochloride,3-dimethylamino-1-phenylpropan-1-one hydrochloride,3-dimethylamino propiophenone hydrochloride,beta-dimethylaminopropiophenone hydrochloride,1-propanone, 3-dimethylamino-1-phenyl-, hydrochloride,nsc 89,dimethylaminoethylphenylketone hydrochloride,propiophenone, 3-dimethylamino-, hydrochloride,1-propanone, 3-dimethylamino-1-phenyl-, hydrochloride 1:1,wln: 1n1&2vr &gh |
| IUPAC Name | 3-(dimethylamino)-1-phenylpropan-1-one;hydrochloride |
| InChI Key | DKNDBIIKSJWQFL-UHFFFAOYSA-N |
| Molecular Formula | C11H16ClNO |
Dicyclohexano-18-crown 6-Ether 98.0+%, TCI America™
CAS: 16069-36-6 Molecular Formula: C20H36O6 Molecular Weight (g/mol): 372.502 MDL Number: MFCD00005099 InChI Key: BBGKDYHZQOSNMU-UHFFFAOYSA-N Synonym: dicyclohexano-18-crown-6,dicyclohexyl-18-crown-6,cis-dicyclohexano-18-crown-6,dicyclohexo-18-crown-6,perhydrodibenzo-18-crown-6,dch-18-crown-6,icosahydrodibenzo b,k 1,4,7,10,13,16 hexaoxacyclooctadecine,dicyclohexyl-18-crown-6 ether,dicyclohexyl 18-crown-6,ccris 3612 PubChem CID: 85955 SMILES: C1CCC2C(C1)OCCOCCOC3CCCCC3OCCOCCO2
| PubChem CID | 85955 |
|---|---|
| CAS | 16069-36-6 |
| Molecular Weight (g/mol) | 372.502 |
| MDL Number | MFCD00005099 |
| SMILES | C1CCC2C(C1)OCCOCCOC3CCCCC3OCCOCCO2 |
| Synonym | dicyclohexano-18-crown-6,dicyclohexyl-18-crown-6,cis-dicyclohexano-18-crown-6,dicyclohexo-18-crown-6,perhydrodibenzo-18-crown-6,dch-18-crown-6,icosahydrodibenzo b,k 1,4,7,10,13,16 hexaoxacyclooctadecine,dicyclohexyl-18-crown-6 ether,dicyclohexyl 18-crown-6,ccris 3612 |
| InChI Key | BBGKDYHZQOSNMU-UHFFFAOYSA-N |
| Molecular Formula | C20H36O6 |
2-Methylbutyraldehyde 95.0+%, TCI America™
CAS: 96-17-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00006984 InChI Key: BYGQBDHUGHBGMD-UHFFFAOYNA-N Synonym: 2-methylbutyraldehyde,butanal, 2-methyl,2-formylbutane,2-methylbutyric aldehyde,methylethylacetaldehyde,2-ethylpropanal,2-methyl-1-butanal,butyraldehyde, 2-methyl,acetaldehyde, ethylmethyl,alpha-methylbutanal PubChem CID: 7284 ChEBI: CHEBI:16182 IUPAC Name: 2-methylbutanal SMILES: CCC(C)C=O
| PubChem CID | 7284 |
|---|---|
| CAS | 96-17-3 |
| Molecular Weight (g/mol) | 86.13 |
| ChEBI | CHEBI:16182 |
| MDL Number | MFCD00006984 |
| SMILES | CCC(C)C=O |
| Synonym | 2-methylbutyraldehyde,butanal, 2-methyl,2-formylbutane,2-methylbutyric aldehyde,methylethylacetaldehyde,2-ethylpropanal,2-methyl-1-butanal,butyraldehyde, 2-methyl,acetaldehyde, ethylmethyl,alpha-methylbutanal |
| IUPAC Name | 2-methylbutanal |
| InChI Key | BYGQBDHUGHBGMD-UHFFFAOYNA-N |
| Molecular Formula | C5H10O |
2'-Chloroacetophenone 97.0+%, TCI America™
CAS: 2142-68-9 Molecular Formula: C8H7ClO Molecular Weight (g/mol): 154.593 MDL Number: MFCD00000560 InChI Key: ZDOYHCIRUPHUHN-UHFFFAOYSA-N Synonym: 2'-chloroacetophenone,1-2-chlorophenyl ethanone,o-chloroacetophenone,1-2-chlorophenyl ethan-1-one,ethanone, 1-2-chlorophenyl,acetophenone, 2'-chloro,o-chloroacetophonone,1-2-chloro-phenyl-ethanone,ethanone, 1-chlorophenyl,1-acetyl-2-chlorobenzene PubChem CID: 72864 IUPAC Name: 1-(2-chlorophenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1Cl
| PubChem CID | 72864 |
|---|---|
| CAS | 2142-68-9 |
| Molecular Weight (g/mol) | 154.593 |
| MDL Number | MFCD00000560 |
| SMILES | CC(=O)C1=CC=CC=C1Cl |
| Synonym | 2'-chloroacetophenone,1-2-chlorophenyl ethanone,o-chloroacetophenone,1-2-chlorophenyl ethan-1-one,ethanone, 1-2-chlorophenyl,acetophenone, 2'-chloro,o-chloroacetophonone,1-2-chloro-phenyl-ethanone,ethanone, 1-chlorophenyl,1-acetyl-2-chlorobenzene |
| IUPAC Name | 1-(2-chlorophenyl)ethanone |
| InChI Key | ZDOYHCIRUPHUHN-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO |
Benzal Diacetate 95.0+%, TCI America™
CAS: 581-55-5 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.213 MDL Number: MFCD00059206 InChI Key: XRYSDRCNTMEYFH-UHFFFAOYSA-N Synonym: benzal diacetate,benzylidene diacetate,phenylmethylene diacetate,benzaldiacetate,methanediol, phenyl-, diacetate,benzaldiacetat,m-diacetoxymethylbenzene,diacetic acid benzylidene,phenylmethanediyl diacetate,phenylmethanediol diacetate PubChem CID: 68489 IUPAC Name: [acetyloxy(phenyl)methyl] acetate SMILES: CC(=O)OC(C1=CC=CC=C1)OC(=O)C
| PubChem CID | 68489 |
|---|---|
| CAS | 581-55-5 |
| Molecular Weight (g/mol) | 208.213 |
| MDL Number | MFCD00059206 |
| SMILES | CC(=O)OC(C1=CC=CC=C1)OC(=O)C |
| Synonym | benzal diacetate,benzylidene diacetate,phenylmethylene diacetate,benzaldiacetate,methanediol, phenyl-, diacetate,benzaldiacetat,m-diacetoxymethylbenzene,diacetic acid benzylidene,phenylmethanediyl diacetate,phenylmethanediol diacetate |
| IUPAC Name | [acetyloxy(phenyl)methyl] acetate |
| InChI Key | XRYSDRCNTMEYFH-UHFFFAOYSA-N |
| Molecular Formula | C11H12O4 |
3,4-Dimethoxybenzaldehyde 98.0+%, TCI America™
CAS: 120-14-9 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00003363 InChI Key: WJUFSDZVCOTFON-UHFFFAOYSA-N Synonym: veratraldehyde,veratric aldehyde,methylvanillin,vanillin methyl ether,veratral,veratryl aldehyde,benzaldehyde, 3,4-dimethoxy,veratrum aldehyde,p-veratric aldehyde,4-o-methylvanillin PubChem CID: 8419 ChEBI: CHEBI:17098 IUPAC Name: 3,4-dimethoxybenzaldehyde SMILES: COC1=CC=C(C=O)C=C1OC
| PubChem CID | 8419 |
|---|---|
| CAS | 120-14-9 |
| Molecular Weight (g/mol) | 166.18 |
| ChEBI | CHEBI:17098 |
| MDL Number | MFCD00003363 |
| SMILES | COC1=CC=C(C=O)C=C1OC |
| Synonym | veratraldehyde,veratric aldehyde,methylvanillin,vanillin methyl ether,veratral,veratryl aldehyde,benzaldehyde, 3,4-dimethoxy,veratrum aldehyde,p-veratric aldehyde,4-o-methylvanillin |
| IUPAC Name | 3,4-dimethoxybenzaldehyde |
| InChI Key | WJUFSDZVCOTFON-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
Ketorolac Tromethamine 98.0+%, TCI America™
CAS: 74103-07-4 Molecular Formula: C19H24N2O6 Molecular Weight (g/mol): 376.41 MDL Number: MFCD00887595 InChI Key: BWHLPLXXIDYSNW-UHFFFAOYNA-N Synonym: Ketorolac Tris Salt, (+/-)-5-Benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic Acid Tris Salt PubChem CID: 84003 ChEBI: CHEBI:6130 IUPAC Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid SMILES: NC(CO)(CO)CO.OC(=O)C1CCN2C1=CC=C2C(=O)C1=CC=CC=C1
| PubChem CID | 84003 |
|---|---|
| CAS | 74103-07-4 |
| Molecular Weight (g/mol) | 376.41 |
| ChEBI | CHEBI:6130 |
| MDL Number | MFCD00887595 |
| SMILES | NC(CO)(CO)CO.OC(=O)C1CCN2C1=CC=C2C(=O)C1=CC=CC=C1 |
| Synonym | Ketorolac Tris Salt, (+/-)-5-Benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic Acid Tris Salt |
| IUPAC Name | 2-amino-2-(hydroxymethyl)propane-1,3-diol; 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid |
| InChI Key | BWHLPLXXIDYSNW-UHFFFAOYNA-N |
| Molecular Formula | C19H24N2O6 |
3-Methoxypropylamine 99.0+%, TCI America™
CAS: 5332-73-0 Molecular Formula: C4H11NO Molecular Weight (g/mol): 89.14 MDL Number: MFCD00014831 InChI Key: FAXDZWQIWUSWJH-UHFFFAOYSA-N Synonym: 3-methoxypropylamine,1-propanamine, 3-methoxy,1-amino-3-methoxypropane,3-aminopropyl methyl ether,3-methyoxypropylamine,3-methoxy-n-propylamine,3-methoxy-1-propanamine,propylamine, 3-methoxy,3-mpa,propanolamine methyl ether PubChem CID: 1672 IUPAC Name: 3-methoxypropan-1-amine SMILES: COCCCN
| PubChem CID | 1672 |
|---|---|
| CAS | 5332-73-0 |
| Molecular Weight (g/mol) | 89.14 |
| MDL Number | MFCD00014831 |
| SMILES | COCCCN |
| Synonym | 3-methoxypropylamine,1-propanamine, 3-methoxy,1-amino-3-methoxypropane,3-aminopropyl methyl ether,3-methyoxypropylamine,3-methoxy-n-propylamine,3-methoxy-1-propanamine,propylamine, 3-methoxy,3-mpa,propanolamine methyl ether |
| IUPAC Name | 3-methoxypropan-1-amine |
| InChI Key | FAXDZWQIWUSWJH-UHFFFAOYSA-N |
| Molecular Formula | C4H11NO |
2-Isobutoxynaphthalene 98.0+%, TCI America™
CAS: 2173-57-1 Molecular Formula: C14H16O Molecular Weight (g/mol): 200.28 MDL Number: MFCD00046467 InChI Key: XOHIHZHSDMWWMS-UHFFFAOYSA-N Synonym: Isobutyl 2-Naphthyl Ether PubChem CID: 16582 IUPAC Name: 2-(2-methylpropoxy)naphthalene SMILES: CC(C)COC1=CC=C2C=CC=CC2=C1
| PubChem CID | 16582 |
|---|---|
| CAS | 2173-57-1 |
| Molecular Weight (g/mol) | 200.28 |
| MDL Number | MFCD00046467 |
| SMILES | CC(C)COC1=CC=C2C=CC=CC2=C1 |
| Synonym | Isobutyl 2-Naphthyl Ether |
| IUPAC Name | 2-(2-methylpropoxy)naphthalene |
| InChI Key | XOHIHZHSDMWWMS-UHFFFAOYSA-N |
| Molecular Formula | C14H16O |
1-(4-Chlorophenyl)-4,4,4-trifluoro-1,3-butanedione 98.0+%, TCI America™
CAS: 18931-60-7 Molecular Formula: C10H6ClF3O2 Molecular Weight (g/mol): 250.60 MDL Number: MFCD00511276 InChI Key: RESLPNKXHQNERF-YVMONPNESA-N PubChem CID: 2773832 IUPAC Name: (3Z)-4-(4-chlorophenyl)-1,1,1-trifluoro-4-hydroxybut-3-en-2-one SMILES: O\C(=C/C(=O)C(F)(F)F)C1=CC=C(Cl)C=C1
| PubChem CID | 2773832 |
|---|---|
| CAS | 18931-60-7 |
| Molecular Weight (g/mol) | 250.60 |
| MDL Number | MFCD00511276 |
| SMILES | O\C(=C/C(=O)C(F)(F)F)C1=CC=C(Cl)C=C1 |
| IUPAC Name | (3Z)-4-(4-chlorophenyl)-1,1,1-trifluoro-4-hydroxybut-3-en-2-one |
| InChI Key | RESLPNKXHQNERF-YVMONPNESA-N |
| Molecular Formula | C10H6ClF3O2 |
2',5'-Dihydroxyacetophenone 98.0+%, TCI America™
CAS: 490-78-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002343 InChI Key: WLDWSGZHNBANIO-UHFFFAOYSA-N Synonym: 2',5'-dihydroxyacetophenone,1-2,5-dihydroxyphenyl ethanone,2-acetylhydroquinone,2,5-dihydroxyacetophenone,quinacetophenone,acetylhydroquinone,ethanone, 1-2,5-dihydroxyphenyl,1-2,5-dihydroxyphenyl ethan-1-one,acetylquinol,acetophenone, 2',5'-dihydroxy PubChem CID: 10279 IUPAC Name: 1-(2,5-dihydroxyphenyl)ethanone SMILES: CC(=O)C1=C(C=CC(=C1)O)O
| PubChem CID | 10279 |
|---|---|
| CAS | 490-78-8 |
| Molecular Weight (g/mol) | 152.149 |
| MDL Number | MFCD00002343 |
| SMILES | CC(=O)C1=C(C=CC(=C1)O)O |
| Synonym | 2',5'-dihydroxyacetophenone,1-2,5-dihydroxyphenyl ethanone,2-acetylhydroquinone,2,5-dihydroxyacetophenone,quinacetophenone,acetylhydroquinone,ethanone, 1-2,5-dihydroxyphenyl,1-2,5-dihydroxyphenyl ethan-1-one,acetylquinol,acetophenone, 2',5'-dihydroxy |
| IUPAC Name | 1-(2,5-dihydroxyphenyl)ethanone |
| InChI Key | WLDWSGZHNBANIO-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
5'-Bromo-2'-hydroxypropiophenone 98.0+%, TCI America™
CAS: 17764-93-1 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00218577 InChI Key: NDXLYRKTHTZXRC-UHFFFAOYSA-N PubChem CID: 736409 IUPAC Name: 1-(5-bromo-2-hydroxyphenyl)propan-1-one SMILES: CCC(=O)C1=CC(Br)=CC=C1O
| PubChem CID | 736409 |
|---|---|
| CAS | 17764-93-1 |
| Molecular Weight (g/mol) | 229.07 |
| MDL Number | MFCD00218577 |
| SMILES | CCC(=O)C1=CC(Br)=CC=C1O |
| IUPAC Name | 1-(5-bromo-2-hydroxyphenyl)propan-1-one |
| InChI Key | NDXLYRKTHTZXRC-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
4'-Aminoacetophenone Hydrochloride 98.0+%, TCI America™
CAS: 41784-08-1 Molecular Formula: C8H10ClNO Molecular Weight (g/mol): 171.62 MDL Number: MFCD00060232 InChI Key: LCYIZBVMHJGJGP-UHFFFAOYSA-N PubChem CID: 23333831 IUPAC Name: 1-(4-aminophenyl)ethan-1-one hydrochloride SMILES: Cl.CC(=O)C1=CC=C(N)C=C1
| PubChem CID | 23333831 |
|---|---|
| CAS | 41784-08-1 |
| Molecular Weight (g/mol) | 171.62 |
| MDL Number | MFCD00060232 |
| SMILES | Cl.CC(=O)C1=CC=C(N)C=C1 |
| IUPAC Name | 1-(4-aminophenyl)ethan-1-one hydrochloride |
| InChI Key | LCYIZBVMHJGJGP-UHFFFAOYSA-N |
| Molecular Formula | C8H10ClNO |
Mono-4-nitrobenzyl Malonate 98.0+%, TCI America™
CAS: 77359-11-6 Molecular Formula: C10H9NO6 Molecular Weight (g/mol): 239.183 MDL Number: MFCD00191556 InChI Key: RIGFMUNSTCPGNP-UHFFFAOYSA-N Synonym: Malonic Acid Mono-4-nitrobenzyl Ester, 4-Nitrobenzyl Hydrogen Malonate PubChem CID: 592642 SMILES: C1=CC(=CC=C1COC(=O)CC(=O)O)[N+](=O)[O-]
| PubChem CID | 592642 |
|---|---|
| CAS | 77359-11-6 |
| Molecular Weight (g/mol) | 239.183 |
| MDL Number | MFCD00191556 |
| SMILES | C1=CC(=CC=C1COC(=O)CC(=O)O)[N+](=O)[O-] |
| Synonym | Malonic Acid Mono-4-nitrobenzyl Ester, 4-Nitrobenzyl Hydrogen Malonate |
| InChI Key | RIGFMUNSTCPGNP-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO6 |