Organic acids and derivatives
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Ethyl cinnamate, 98% trans
CAS: 103-36-6 Molecular Formula: C11H12O2 Molecular Weight (g/mol): 176.21 InChI Key: KBEBGUQPQBELIU-CMDGGOBGSA-N Synonym: ethyl cinnamate,ethyl 3-phenylacrylate,ethylcinnamate,cinnamic acid ethyl ester,ethylcinnamoate,cinnamic acid, ethyl ester,ethyl trans-cinnamate,e-ethyl cinnamate,ethyl 3-phenyl-2-propenoate,ethyl benzylideneacetate PubChem CID: 637758 ChEBI: CHEBI:4895 IUPAC Name: ethyl (E)-3-phenylprop-2-enoate SMILES: CCOC(=O)C=CC1=CC=CC=C1
| PubChem CID | 637758 |
|---|---|
| CAS | 103-36-6 |
| Molecular Weight (g/mol) | 176.21 |
| ChEBI | CHEBI:4895 |
| SMILES | CCOC(=O)C=CC1=CC=CC=C1 |
| Synonym | ethyl cinnamate,ethyl 3-phenylacrylate,ethylcinnamate,cinnamic acid ethyl ester,ethylcinnamoate,cinnamic acid, ethyl ester,ethyl trans-cinnamate,e-ethyl cinnamate,ethyl 3-phenyl-2-propenoate,ethyl benzylideneacetate |
| IUPAC Name | ethyl (E)-3-phenylprop-2-enoate |
| InChI Key | KBEBGUQPQBELIU-CMDGGOBGSA-N |
| Molecular Formula | C11H12O2 |
Chloroacetic acid, 99%
CAS: 79-11-8 Molecular Formula: C2H3ClO2 Molecular Weight (g/mol): 94.494 MDL Number: MFCD00002683 InChI Key: FOCAUTSVDIKZOP-UHFFFAOYSA-N Synonym: chloroacetic acid,monochloroacetic acid,chloracetic acid,acetic acid, chloro,acide chloracetique,chloroethanoic acid,monochloroethanoic acid,monochloracetic acid,monochloorazijnzuur,monochloressigsaeure PubChem CID: 300 ChEBI: CHEBI:27869 IUPAC Name: 2-chloroacetic acid SMILES: C(C(=O)O)Cl
| PubChem CID | 300 |
|---|---|
| CAS | 79-11-8 |
| Molecular Weight (g/mol) | 94.494 |
| ChEBI | CHEBI:27869 |
| MDL Number | MFCD00002683 |
| SMILES | C(C(=O)O)Cl |
| Synonym | chloroacetic acid,monochloroacetic acid,chloracetic acid,acetic acid, chloro,acide chloracetique,chloroethanoic acid,monochloroethanoic acid,monochloracetic acid,monochloorazijnzuur,monochloressigsaeure |
| IUPAC Name | 2-chloroacetic acid |
| InChI Key | FOCAUTSVDIKZOP-UHFFFAOYSA-N |
| Molecular Formula | C2H3ClO2 |
Thermo Scientific Chemicals N-Isopropylacrylamide, 99%, pure, stabilized
CAS: 2210-25-5 Molecular Formula: C6H11NO Molecular Weight (g/mol): 113.16 MDL Number: MFCD00041913 InChI Key: QNILTEGFHQSKFF-UHFFFAOYSA-N Synonym: n-isopropylacrylamide,nipam,n-iso-propylacrylamide,2-propenamide, n-1-methylethyl,isopropyl acrylamide,acrylamide, n-isopropyl,n-isopropyl acrylamide,n-1-methylethyl-2-propenamide,isopropylamid kyseliny akrylove,unii-b7gff17l9u PubChem CID: 16637 IUPAC Name: N-propan-2-ylprop-2-enamide SMILES: CC(C)NC(=O)C=C
| PubChem CID | 16637 |
|---|---|
| CAS | 2210-25-5 |
| Molecular Weight (g/mol) | 113.16 |
| MDL Number | MFCD00041913 |
| SMILES | CC(C)NC(=O)C=C |
| Synonym | n-isopropylacrylamide,nipam,n-iso-propylacrylamide,2-propenamide, n-1-methylethyl,isopropyl acrylamide,acrylamide, n-isopropyl,n-isopropyl acrylamide,n-1-methylethyl-2-propenamide,isopropylamid kyseliny akrylove,unii-b7gff17l9u |
| IUPAC Name | N-propan-2-ylprop-2-enamide |
| InChI Key | QNILTEGFHQSKFF-UHFFFAOYSA-N |
| Molecular Formula | C6H11NO |
Naproxen sodium, 98%, Thermo Scientific Chemicals
CAS: 26159-34-2 Molecular Formula: C14H13NaO3 Molecular Weight (g/mol): 252.25 MDL Number: MFCD00058507 InChI Key: CDBRNDSHEYLDJV-FVGYRXGTSA-M Synonym: naproxen sodium,anaprox,miranax,naprelan,naproxen sodium salt,anapran,anaprotab,aprowell,floginex,flogogin PubChem CID: 23681059 ChEBI: CHEBI:7477 IUPAC Name: sodium;(2S)-2-(6-methoxynaphthalen-2-yl)propanoate SMILES: [Na+].COC1=CC=C2C=C(C=CC2=C1)[C@H](C)C([O-])=O
| PubChem CID | 23681059 |
|---|---|
| CAS | 26159-34-2 |
| Molecular Weight (g/mol) | 252.25 |
| ChEBI | CHEBI:7477 |
| MDL Number | MFCD00058507 |
| SMILES | [Na+].COC1=CC=C2C=C(C=CC2=C1)[C@H](C)C([O-])=O |
| Synonym | naproxen sodium,anaprox,miranax,naprelan,naproxen sodium salt,anapran,anaprotab,aprowell,floginex,flogogin |
| IUPAC Name | sodium;(2S)-2-(6-methoxynaphthalen-2-yl)propanoate |
| InChI Key | CDBRNDSHEYLDJV-FVGYRXGTSA-M |
| Molecular Formula | C14H13NaO3 |
D-Gluconic acid, calcium salt, 99%
CAS: 299-28-5 Molecular Formula: C12H22CaO14 Molecular Weight (g/mol): 430.372 MDL Number: MFCD00064209 InChI Key: NEEHYRZPVYRGPP-IYEMJOQQSA-L Synonym: calcium gluconate,calcium d-gluconate,calciofon,calglucon,glucobiogen,ebucin,calcicol,calcipur,calglucol,dragocal PubChem CID: 9290 IUPAC Name: calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate SMILES: C(C(C(C(C(C(=O)[O-])O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Ca+2]
| PubChem CID | 9290 |
|---|---|
| CAS | 299-28-5 |
| Molecular Weight (g/mol) | 430.372 |
| MDL Number | MFCD00064209 |
| SMILES | C(C(C(C(C(C(=O)[O-])O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Ca+2] |
| Synonym | calcium gluconate,calcium d-gluconate,calciofon,calglucon,glucobiogen,ebucin,calcicol,calcipur,calglucol,dragocal |
| IUPAC Name | calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate |
| InChI Key | NEEHYRZPVYRGPP-IYEMJOQQSA-L |
| Molecular Formula | C12H22CaO14 |
Ethyl p-toluenesulfonate, 98%
CAS: 80-40-0 Molecular Formula: C9H12O3S Molecular Weight (g/mol): 200.252 MDL Number: MFCD00009100 InChI Key: VRZVPALEJCLXPR-UHFFFAOYSA-N Synonym: ethyl p-toluenesulfonate,ethyl tosylate,ethyl p-tosylate,ethyl p-ts,benzenesulfonic acid, 4-methyl-, ethyl ester,ethyl p-methylbenzenesulfonate,ethyl-p-toluenesulfonate,p-toluenesulfonic acid, ethyl ester,ethyl pts,p-toluolsulfonsaeure aethyl ester PubChem CID: 6638 IUPAC Name: ethyl 4-methylbenzenesulfonate SMILES: CCOS(=O)(=O)C1=CC=C(C=C1)C
| PubChem CID | 6638 |
|---|---|
| CAS | 80-40-0 |
| Molecular Weight (g/mol) | 200.252 |
| MDL Number | MFCD00009100 |
| SMILES | CCOS(=O)(=O)C1=CC=C(C=C1)C |
| Synonym | ethyl p-toluenesulfonate,ethyl tosylate,ethyl p-tosylate,ethyl p-ts,benzenesulfonic acid, 4-methyl-, ethyl ester,ethyl p-methylbenzenesulfonate,ethyl-p-toluenesulfonate,p-toluenesulfonic acid, ethyl ester,ethyl pts,p-toluolsulfonsaeure aethyl ester |
| IUPAC Name | ethyl 4-methylbenzenesulfonate |
| InChI Key | VRZVPALEJCLXPR-UHFFFAOYSA-N |
| Molecular Formula | C9H12O3S |
Dimethyl L-tartrate, 99%
CAS: 608-68-4 Molecular Formula: C6H10O6 Molecular Weight (g/mol): 178.14 MDL Number: MFCD00064437 InChI Key: PVRATXCXJDHJJN-QWWZWVQMSA-N Synonym: +-dimethyl l-tartrate,dimethyl l-tartrate,2r,3r-dimethyl 2,3-dihydroxysuccinate,dimethyl +-tartrate,l-+-tartaric acid dimethyl ester,dimethyl l-+-tartrate,1,4-dimethyl 2r,3r-2,3-dihydroxybutanedioate,butanedioic acid, 2,3-dihydroxy-2r,3r-, 1,4-dimethyl ester,dimethyl 2r,3r-2,3-dihydroxybutanedioate,l-tartaric acid, dimethyl ester PubChem CID: 11851 IUPAC Name: dimethyl (2R,3R)-2,3-dihydroxybutanedioate SMILES: COC(=O)C(C(C(=O)OC)O)O
| PubChem CID | 11851 |
|---|---|
| CAS | 608-68-4 |
| Molecular Weight (g/mol) | 178.14 |
| MDL Number | MFCD00064437 |
| SMILES | COC(=O)C(C(C(=O)OC)O)O |
| Synonym | +-dimethyl l-tartrate,dimethyl l-tartrate,2r,3r-dimethyl 2,3-dihydroxysuccinate,dimethyl +-tartrate,l-+-tartaric acid dimethyl ester,dimethyl l-+-tartrate,1,4-dimethyl 2r,3r-2,3-dihydroxybutanedioate,butanedioic acid, 2,3-dihydroxy-2r,3r-, 1,4-dimethyl ester,dimethyl 2r,3r-2,3-dihydroxybutanedioate,l-tartaric acid, dimethyl ester |
| IUPAC Name | dimethyl (2R,3R)-2,3-dihydroxybutanedioate |
| InChI Key | PVRATXCXJDHJJN-QWWZWVQMSA-N |
| Molecular Formula | C6H10O6 |
Dibutyl maleate, 97%
CAS: 105-76-0 Molecular Formula: C12H20O4 Molecular Weight (g/mol): 228.29 MDL Number: MFCD00009447,MFCD00065141 InChI Key: JBSLOWBPDRZSMB-FPLPWBNLSA-N Synonym: dibutyl maleate,butyl maleate,staflex dbm,rc comonomer dbm,maleic acid, dibutyl ester,di-n-butyl maleate,2-butenedioic acid z-, dibutyl ester,2-butenedioic acid, dibutyl ester,maleic acid dibutyl ester,2-butenedioic acid 2z-, dibutyl ester PubChem CID: 5271569 IUPAC Name: dibutyl (Z)-but-2-enedioate SMILES: CCCCOC(=O)\C=C/C(=O)OCCCC
| PubChem CID | 5271569 |
|---|---|
| CAS | 105-76-0 |
| Molecular Weight (g/mol) | 228.29 |
| MDL Number | MFCD00009447,MFCD00065141 |
| SMILES | CCCCOC(=O)\C=C/C(=O)OCCCC |
| Synonym | dibutyl maleate,butyl maleate,staflex dbm,rc comonomer dbm,maleic acid, dibutyl ester,di-n-butyl maleate,2-butenedioic acid z-, dibutyl ester,2-butenedioic acid, dibutyl ester,maleic acid dibutyl ester,2-butenedioic acid 2z-, dibutyl ester |
| IUPAC Name | dibutyl (Z)-but-2-enedioate |
| InChI Key | JBSLOWBPDRZSMB-FPLPWBNLSA-N |
| Molecular Formula | C12H20O4 |
Levulinic Acid, 98+%
CAS: 123-76-2 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.12 MDL Number: MFCD00002796 InChI Key: JOOXCMJARBKPKM-UHFFFAOYSA-N Synonym: levulinic acid,laevulinic acid,pentanoic acid, 4-oxo,levulic acid,4-oxovaleric acid,3-acetylpropionic acid,4-ketovaleric acid,leva,gamma-ketovaleric acid,acetopropionic acid PubChem CID: 11579 ChEBI: CHEBI:45630 IUPAC Name: 4-oxopentanoic acid SMILES: CC(=O)CCC(=O)O
| PubChem CID | 11579 |
|---|---|
| CAS | 123-76-2 |
| Molecular Weight (g/mol) | 116.12 |
| ChEBI | CHEBI:45630 |
| MDL Number | MFCD00002796 |
| SMILES | CC(=O)CCC(=O)O |
| Synonym | levulinic acid,laevulinic acid,pentanoic acid, 4-oxo,levulic acid,4-oxovaleric acid,3-acetylpropionic acid,4-ketovaleric acid,leva,gamma-ketovaleric acid,acetopropionic acid |
| IUPAC Name | 4-oxopentanoic acid |
| InChI Key | JOOXCMJARBKPKM-UHFFFAOYSA-N |
| Molecular Formula | C5H8O3 |
n-Butyl levulinate, 98%
CAS: 2052-15-5 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.224 MDL Number: MFCD00009449 InChI Key: ISBWNEKJSSLXOD-UHFFFAOYSA-N Synonym: butyl levulinate,n-butyl levulinate,butyl laevulinate,pentanoic acid, 4-oxo-, butyl ester,n-butyl laevulinate,levulinic acid, butyl ester,butyl 4-ketovalerate,4-ketopentanoic acid butyl ester,butyl acetylpropionate,n-butyl 4-oxopentanoate PubChem CID: 16331 IUPAC Name: butyl 4-oxopentanoate SMILES: CCCCOC(=O)CCC(=O)C
| PubChem CID | 16331 |
|---|---|
| CAS | 2052-15-5 |
| Molecular Weight (g/mol) | 172.224 |
| MDL Number | MFCD00009449 |
| SMILES | CCCCOC(=O)CCC(=O)C |
| Synonym | butyl levulinate,n-butyl levulinate,butyl laevulinate,pentanoic acid, 4-oxo-, butyl ester,n-butyl laevulinate,levulinic acid, butyl ester,butyl 4-ketovalerate,4-ketopentanoic acid butyl ester,butyl acetylpropionate,n-butyl 4-oxopentanoate |
| IUPAC Name | butyl 4-oxopentanoate |
| InChI Key | ISBWNEKJSSLXOD-UHFFFAOYSA-N |
| Molecular Formula | C9H16O3 |
Isopropyl methanesulfonate, 99%
CAS: 926-06-7 Molecular Formula: C4H10O3S Molecular Weight (g/mol): 138.19 MDL Number: MFCD00047802 InChI Key: SWWHCQCMVCPLEQ-UHFFFAOYSA-N Synonym: isopropyl methanesulfonate,isopropyl mesylate,isopropylmethanesulfonate,methanesulfonic acid, 1-methylethyl ester,isopropyl methane sulphonate,2-propyl methanesulphonate,isopropyl methane sulfonate,methanesulfonic acid, isopropyl ester,isopropyl methanesulphonate,unii-t0k2txy26b PubChem CID: 13551 IUPAC Name: propan-2-yl methanesulfonate SMILES: CC(C)OS(=O)(=O)C
| PubChem CID | 13551 |
|---|---|
| CAS | 926-06-7 |
| Molecular Weight (g/mol) | 138.19 |
| MDL Number | MFCD00047802 |
| SMILES | CC(C)OS(=O)(=O)C |
| Synonym | isopropyl methanesulfonate,isopropyl mesylate,isopropylmethanesulfonate,methanesulfonic acid, 1-methylethyl ester,isopropyl methane sulphonate,2-propyl methanesulphonate,isopropyl methane sulfonate,methanesulfonic acid, isopropyl ester,isopropyl methanesulphonate,unii-t0k2txy26b |
| IUPAC Name | propan-2-yl methanesulfonate |
| InChI Key | SWWHCQCMVCPLEQ-UHFFFAOYSA-N |
| Molecular Formula | C4H10O3S |
Formaldehyde sodium bisulfite, 95%
CAS: 870-72-4 Molecular Formula: CH3NaO4S Molecular Weight (g/mol): 134.081 MDL Number: MFCD00044664 InChI Key: UOULCEYHQNCFFH-UHFFFAOYSA-M Synonym: sodium hydroxymethanesulfonate,formaldehyde sodium bisulfite,formbis,sodium formaldehyde bisulfite,sodium hydroxymethanesulphonate,methanesulfonic acid, hydroxy-, monosodium salt,sodium hydroxymethane sulfonate,sodium formaldehydebisulfite,unii-i566kha05f,methylolsulfonic acid sodium salt PubChem CID: 2723822 IUPAC Name: sodium;hydroxymethanesulfonate SMILES: C(O)S(=O)(=O)[O-].[Na+]
| PubChem CID | 2723822 |
|---|---|
| CAS | 870-72-4 |
| Molecular Weight (g/mol) | 134.081 |
| MDL Number | MFCD00044664 |
| SMILES | C(O)S(=O)(=O)[O-].[Na+] |
| Synonym | sodium hydroxymethanesulfonate,formaldehyde sodium bisulfite,formbis,sodium formaldehyde bisulfite,sodium hydroxymethanesulphonate,methanesulfonic acid, hydroxy-, monosodium salt,sodium hydroxymethane sulfonate,sodium formaldehydebisulfite,unii-i566kha05f,methylolsulfonic acid sodium salt |
| IUPAC Name | sodium;hydroxymethanesulfonate |
| InChI Key | UOULCEYHQNCFFH-UHFFFAOYSA-M |
| Molecular Formula | CH3NaO4S |
Phenazine methosulfate, MP Biomedicals™
CAS: 299-11-6 Molecular Formula: C14H14N2O4S Molecular Weight (g/mol): 306.336 InChI Key: RXGJTUSBYWCRBK-UHFFFAOYSA-M Synonym: phenazine methosulfate,5-methylphenazin-5-ium methyl sulfate,5-methylphenazinium methyl sulfate,n-methylphenazonium methosulfate,phenazine methosulphate,methylphenazonium methosulfate,5-methylphenazine methylsulfate,n-methylphenazinium methosulfate,n-methylphenazonium methosulphate,phenazinium, 5-methyl-, methyl sulfate PubChem CID: 9285 ChEBI: CHEBI:8055 IUPAC Name: 5-methylphenazin-5-ium;methyl sulfate SMILES: C[N+]1=C2C=CC=CC2=NC3=CC=CC=C31.COS(=O)(=O)[O-]
| PubChem CID | 9285 |
|---|---|
| CAS | 299-11-6 |
| Molecular Weight (g/mol) | 306.336 |
| ChEBI | CHEBI:8055 |
| SMILES | C[N+]1=C2C=CC=CC2=NC3=CC=CC=C31.COS(=O)(=O)[O-] |
| Synonym | phenazine methosulfate,5-methylphenazin-5-ium methyl sulfate,5-methylphenazinium methyl sulfate,n-methylphenazonium methosulfate,phenazine methosulphate,methylphenazonium methosulfate,5-methylphenazine methylsulfate,n-methylphenazinium methosulfate,n-methylphenazonium methosulphate,phenazinium, 5-methyl-, methyl sulfate |
| IUPAC Name | 5-methylphenazin-5-ium;methyl sulfate |
| InChI Key | RXGJTUSBYWCRBK-UHFFFAOYSA-M |
| Molecular Formula | C14H14N2O4S |
Butyl formate, 97%
CAS: 592-84-7 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00003296 InChI Key: NMJJFJNHVMGPGM-UHFFFAOYSA-N Synonym: n-butyl formate,formic acid, butyl ester,butyl methanoate,n-butyl methanoate,formic acid butyl ester,n-butylformate,butylester kyseliny mravenci,fema no. 2196,unii-0y9mz7vm9p,butylester kyseliny mravenci czech PubChem CID: 11614 IUPAC Name: butyl formate SMILES: CCCCOC=O
| PubChem CID | 11614 |
|---|---|
| CAS | 592-84-7 |
| Molecular Weight (g/mol) | 102.13 |
| MDL Number | MFCD00003296 |
| SMILES | CCCCOC=O |
| Synonym | n-butyl formate,formic acid, butyl ester,butyl methanoate,n-butyl methanoate,formic acid butyl ester,n-butylformate,butylester kyseliny mravenci,fema no. 2196,unii-0y9mz7vm9p,butylester kyseliny mravenci czech |
| IUPAC Name | butyl formate |
| InChI Key | NMJJFJNHVMGPGM-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |