Organooxygen compounds
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Methyl 4-acetylbenzoate, 98%
CAS: 3609-53-8 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00216474 InChI Key: QNTSFZXGLAHYLC-UHFFFAOYSA-N Synonym: benzoic acid, 4-acetyl-, methyl ester,unii-3s3d53j4nt,4-acetylbenzoic acid methyl ester,methyl4-acetylbenzoate,4-acetyl-benzoic acid methyl ester,methyl 4-acetyl benzoate,pubchem22273,acmc-209ikx,#,ksc497k9b PubChem CID: 137990 IUPAC Name: methyl 4-acetylbenzoate SMILES: CC(=O)C1=CC=C(C=C1)C(=O)OC
| PubChem CID | 137990 |
|---|---|
| CAS | 3609-53-8 |
| Molecular Weight (g/mol) | 178.19 |
| MDL Number | MFCD00216474 |
| SMILES | CC(=O)C1=CC=C(C=C1)C(=O)OC |
| Synonym | benzoic acid, 4-acetyl-, methyl ester,unii-3s3d53j4nt,4-acetylbenzoic acid methyl ester,methyl4-acetylbenzoate,4-acetyl-benzoic acid methyl ester,methyl 4-acetyl benzoate,pubchem22273,acmc-209ikx,#,ksc497k9b |
| IUPAC Name | methyl 4-acetylbenzoate |
| InChI Key | QNTSFZXGLAHYLC-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
L-Ascorbic Acid Crystalline MP Biomedicals
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 IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one SMILES: C(C(C1C(=C(C(=O)O1)O)O)O)O
| PubChem CID | 54670067 |
|---|---|
| CAS | 50-81-7 |
| Molecular Weight (g/mol) | 176.12 |
| ChEBI | CHEBI:29073 |
| MDL Number | MFCD00064328 |
| SMILES | C(C(C1C(=C(C(=O)O1)O)O)O)O |
| Synonym | l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin |
| IUPAC Name | (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one |
| InChI Key | CIWBSHSKHKDKBQ-DOMZIZNONA-N |
| Molecular Formula | C6H8O6 |
2,5-Dimethyl-2,5-hexanediol, 97%
CAS: 110-03-2 Molecular Formula: C8H18O2 Molecular Weight (g/mol): 146.23 MDL Number: MFCD00004473 InChI Key: ZWNMRZQYWRLGMM-UHFFFAOYSA-N Synonym: 2,5-dimethyl-2,5-hexanediol,2,5-hexanediol, 2,5-dimethyl,unii-3pnb2s8721,1,1,4,4-tetramethyl-1,4-butanediol,2,5-dihydroxy-2,5-dimethylhexane,2,5-dimethyl-hexane-2,5-diol,dimethylhexanediol,dsstox_cid_6830,dsstox_rid_78222,dsstox_gsid_26830 PubChem CID: 8031 IUPAC Name: 2,5-dimethylhexane-2,5-diol SMILES: CC(C)(O)CCC(C)(C)O
| PubChem CID | 8031 |
|---|---|
| CAS | 110-03-2 |
| Molecular Weight (g/mol) | 146.23 |
| MDL Number | MFCD00004473 |
| SMILES | CC(C)(O)CCC(C)(C)O |
| Synonym | 2,5-dimethyl-2,5-hexanediol,2,5-hexanediol, 2,5-dimethyl,unii-3pnb2s8721,1,1,4,4-tetramethyl-1,4-butanediol,2,5-dihydroxy-2,5-dimethylhexane,2,5-dimethyl-hexane-2,5-diol,dimethylhexanediol,dsstox_cid_6830,dsstox_rid_78222,dsstox_gsid_26830 |
| IUPAC Name | 2,5-dimethylhexane-2,5-diol |
| InChI Key | ZWNMRZQYWRLGMM-UHFFFAOYSA-N |
| Molecular Formula | C8H18O2 |
1,2-Dimethoxyethane, 99+%, stab. with BHT
CAS: 110-71-4 Molecular Formula: C4H10O2 Molecular Weight (g/mol): 90.122 MDL Number: MFCD00008502 InChI Key: XTHFKEDIFFGKHM-UHFFFAOYSA-N Synonym: monoglyme,ethylene glycol dimethyl ether,glyme,dimethyl cellosolve,egdme,ethane, 1,2-dimethoxy,dimethoxyethane,2,5-dioxahexane,glycol dimethyl ether,ethylene dimethyl ether PubChem CID: 8071 ChEBI: CHEBI:42263 IUPAC Name: 1,2-dimethoxyethane SMILES: COCCOC
| PubChem CID | 8071 |
|---|---|
| CAS | 110-71-4 |
| Molecular Weight (g/mol) | 90.122 |
| ChEBI | CHEBI:42263 |
| MDL Number | MFCD00008502 |
| SMILES | COCCOC |
| Synonym | monoglyme,ethylene glycol dimethyl ether,glyme,dimethyl cellosolve,egdme,ethane, 1,2-dimethoxy,dimethoxyethane,2,5-dioxahexane,glycol dimethyl ether,ethylene dimethyl ether |
| IUPAC Name | 1,2-dimethoxyethane |
| InChI Key | XTHFKEDIFFGKHM-UHFFFAOYSA-N |
| Molecular Formula | C4H10O2 |
3-Chlorobenzoylacetonitrile, 98%
CAS: 21667-62-9 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.60 MDL Number: MFCD00067891 InChI Key: IUDFNNHFARLIPF-UHFFFAOYSA-N Synonym: 3-chlorobenzoylacetonitrile,3-3-chlorophenyl-3-oxopropanenitrile,3-chlorophenacylcyanide,3-chlorobenzoyl acetonitrile,3-3-chlorophenyl-3-oxo-propanenitrile,beta-ketonitrile 5b,pubchem12046,m-chlorophenacyl cyanide,acmc-1cqmb,maybridge1_004670 PubChem CID: 140855 IUPAC Name: 3-(3-chlorophenyl)-3-oxopropanenitrile SMILES: ClC1=CC=CC(=C1)C(=O)CC#N
| PubChem CID | 140855 |
|---|---|
| CAS | 21667-62-9 |
| Molecular Weight (g/mol) | 179.60 |
| MDL Number | MFCD00067891 |
| SMILES | ClC1=CC=CC(=C1)C(=O)CC#N |
| Synonym | 3-chlorobenzoylacetonitrile,3-3-chlorophenyl-3-oxopropanenitrile,3-chlorophenacylcyanide,3-chlorobenzoyl acetonitrile,3-3-chlorophenyl-3-oxo-propanenitrile,beta-ketonitrile 5b,pubchem12046,m-chlorophenacyl cyanide,acmc-1cqmb,maybridge1_004670 |
| IUPAC Name | 3-(3-chlorophenyl)-3-oxopropanenitrile |
| InChI Key | IUDFNNHFARLIPF-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClNO |
Malonyl dichloride, 97%
CAS: 1663-67-8 Molecular Formula: C3H2Cl2O2 Molecular Weight (g/mol): 140.95 MDL Number: MFCD00000735 InChI Key: SXYFKXOFMCIXQW-UHFFFAOYSA-N Synonym: malonyl chloride,malonyl dichloride,malonoyl chloride,malonic acid dichloride,malonoyl dichloride,malonic acid chloride,malonylchloride,methane-1,1-dicarbonyl chloride,malonylchlorid,malonyldichloride PubChem CID: 74269 IUPAC Name: propanedioyl dichloride SMILES: C(C(=O)Cl)C(=O)Cl
| PubChem CID | 74269 |
|---|---|
| CAS | 1663-67-8 |
| Molecular Weight (g/mol) | 140.95 |
| MDL Number | MFCD00000735 |
| SMILES | C(C(=O)Cl)C(=O)Cl |
| Synonym | malonyl chloride,malonyl dichloride,malonoyl chloride,malonic acid dichloride,malonoyl dichloride,malonic acid chloride,malonylchloride,methane-1,1-dicarbonyl chloride,malonylchlorid,malonyldichloride |
| IUPAC Name | propanedioyl dichloride |
| InChI Key | SXYFKXOFMCIXQW-UHFFFAOYSA-N |
| Molecular Formula | C3H2Cl2O2 |
Monothioglycerol, 95%, Spectrum™ Chemical
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M1177, 96-27-5, C3H8O2S
Pyrogallol, Crystal, Reagent, ACS, Spectrum™ Chemical
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CAS: 87-66-1 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.11 MDL Number: MFCD00002192 InChI Key: WQGWDDDVZFFDIG-UHFFFAOYSA-N IUPAC Name: benzene-1,2,3-triol SMILES: OC1=CC=CC(O)=C1O
| CAS | 87-66-1 |
|---|---|
| Molecular Weight (g/mol) | 126.11 |
| MDL Number | MFCD00002192 |
| SMILES | OC1=CC=CC(O)=C1O |
| IUPAC Name | benzene-1,2,3-triol |
| InChI Key | WQGWDDDVZFFDIG-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3 |
Riboflavin, FCC, 98-102%, Spectrum™ Chemical
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CAS: 83-88-5 Molecular Formula: C17H20N4O6 Molecular Weight (g/mol): 376.37 MDL Number: MFCD00005022 InChI Key: AUNGANRZJHBGPY-QTZZOOGMNA-N IUPAC Name: 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione SMILES: CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1
| CAS | 83-88-5 |
|---|---|
| Molecular Weight (g/mol) | 376.37 |
| MDL Number | MFCD00005022 |
| SMILES | CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1 |
| IUPAC Name | 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione |
| InChI Key | AUNGANRZJHBGPY-QTZZOOGMNA-N |
| Molecular Formula | C17H20N4O6 |
Polyoxyl 40 Stearate, Type II, NF, Spectrum™ Chemical
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CAS: 9004-99-3 Molecular Formula: C20H40O3 Molecular Weight (g/mol): 328.54 InChI Key: RFVNOJDQRGSOEL-UHFFFAOYSA-N IUPAC Name: 2-hydroxyethyl octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCO
| CAS | 9004-99-3 |
|---|---|
| Molecular Weight (g/mol) | 328.54 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCO |
| IUPAC Name | 2-hydroxyethyl octadecanoate |
| InChI Key | RFVNOJDQRGSOEL-UHFFFAOYSA-N |
| Molecular Formula | C20H40O3 |
Tridecanal, 96%, stab.
CAS: 10486-19-8 Molecular Formula: C13H26O Molecular Weight (g/mol): 198.35 MDL Number: MFCD00007018 InChI Key: BGEHHAVMRVXCGR-UHFFFAOYSA-N Synonym: tridecyl aldehyde,tridecanaldehyde,1-tridecanal,n-tridecylaldehyde,n-tridecanal,tridecane aldehyde,tridecanealdehyde,aldehyde c-13,technical,tridecanal PubChem CID: 25311 IUPAC Name: tridecanal SMILES: CCCCCCCCCCCCC=O
| PubChem CID | 25311 |
|---|---|
| CAS | 10486-19-8 |
| Molecular Weight (g/mol) | 198.35 |
| MDL Number | MFCD00007018 |
| SMILES | CCCCCCCCCCCCC=O |
| Synonym | tridecyl aldehyde,tridecanaldehyde,1-tridecanal,n-tridecylaldehyde,n-tridecanal,tridecane aldehyde,tridecanealdehyde,aldehyde c-13,technical,tridecanal |
| IUPAC Name | tridecanal |
| InChI Key | BGEHHAVMRVXCGR-UHFFFAOYSA-N |
| Molecular Formula | C13H26O |
1,4-Cyclohexanediol, cis + trans, 98%
CAS: 556-48-9 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00001448,MFCD00063612,MFCD00075462 InChI Key: VKONPUDBRVKQLM-UHFFFAOYSA-N Synonym: 1,4-cyclohexanediol,cis-1,4-cyclohexanediol,trans-1,4-cyclohexanediol,trans-cyclohexane-1,4-diol,quinitol,1,4-cyclohexanediol, trans,cis-cyclohexane-1,4-diol,1,4-cyclohexanediol, cis,trans-1,4-dihydroxycyclohexane,cis-1,4-dihydroxycyclohexane PubChem CID: 11162 IUPAC Name: cyclohexane-1,4-diol SMILES: OC1CCC(O)CC1
| PubChem CID | 11162 |
|---|---|
| CAS | 556-48-9 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00001448,MFCD00063612,MFCD00075462 |
| SMILES | OC1CCC(O)CC1 |
| Synonym | 1,4-cyclohexanediol,cis-1,4-cyclohexanediol,trans-1,4-cyclohexanediol,trans-cyclohexane-1,4-diol,quinitol,1,4-cyclohexanediol, trans,cis-cyclohexane-1,4-diol,1,4-cyclohexanediol, cis,trans-1,4-dihydroxycyclohexane,cis-1,4-dihydroxycyclohexane |
| IUPAC Name | cyclohexane-1,4-diol |
| InChI Key | VKONPUDBRVKQLM-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
Cyclopentanol, 99%
CAS: 96-41-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00001363 InChI Key: XCIXKGXIYUWCLL-UHFFFAOYSA-N Synonym: hydroxycyclopentane,cyclopentyl alcohol,1-cyclopentanol,unii-1l43q07tbu,dsstox_cid_13371,dsstox_rid_79066,dsstox_gsid_33371,cydopentanol,1-hydroxycyclopentyl,1-cyclopentyl alcohol PubChem CID: 7298 ChEBI: CHEBI:16133 IUPAC Name: cyclopentanol SMILES: C1CCC(C1)O
| PubChem CID | 7298 |
|---|---|
| CAS | 96-41-3 |
| Molecular Weight (g/mol) | 86.13 |
| ChEBI | CHEBI:16133 |
| MDL Number | MFCD00001363 |
| SMILES | C1CCC(C1)O |
| Synonym | hydroxycyclopentane,cyclopentyl alcohol,1-cyclopentanol,unii-1l43q07tbu,dsstox_cid_13371,dsstox_rid_79066,dsstox_gsid_33371,cydopentanol,1-hydroxycyclopentyl,1-cyclopentyl alcohol |
| IUPAC Name | cyclopentanol |
| InChI Key | XCIXKGXIYUWCLL-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |
Trimethyl orthoacetate, 98%
CAS: 1445-45-0 Molecular Formula: C5H12O3 Molecular Weight (g/mol): 120.148 MDL Number: MFCD00008477 InChI Key: HDPNBNXLBDFELL-UHFFFAOYSA-N Synonym: trimethyl orthoacetate,ethane, 1,1,1-trimethoxy,orthoacetic acid, trimethyl ester,methyl orthoacetate,orthoacetic acid trimethyl ester,ch3c och3 3,unii-04h7a3fk37,tmoa,trimethoxyethane,trimethyl-acetate PubChem CID: 15050 IUPAC Name: 1,1,1-trimethoxyethane SMILES: CC(OC)(OC)OC
| PubChem CID | 15050 |
|---|---|
| CAS | 1445-45-0 |
| Molecular Weight (g/mol) | 120.148 |
| MDL Number | MFCD00008477 |
| SMILES | CC(OC)(OC)OC |
| Synonym | trimethyl orthoacetate,ethane, 1,1,1-trimethoxy,orthoacetic acid, trimethyl ester,methyl orthoacetate,orthoacetic acid trimethyl ester,ch3c och3 3,unii-04h7a3fk37,tmoa,trimethoxyethane,trimethyl-acetate |
| IUPAC Name | 1,1,1-trimethoxyethane |
| InChI Key | HDPNBNXLBDFELL-UHFFFAOYSA-N |
| Molecular Formula | C5H12O3 |
2-Methoxyethanol, 99+%, Extra Dry, AcroSeal™
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 |