Organic acids and derivatives
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Dimethyl acetylenedicarboxylate, 95%
CAS: 762-42-5 Molecular Formula: C6H6O4 Molecular Weight (g/mol): 142.11 MDL Number: MFCD00008456 InChI Key: VHILMKFSCRWWIJ-UHFFFAOYSA-N Synonym: dimethyl acetylenedicarboxylate,2-butynedioic acid, dimethyl ester,1,4-dimethyl but-2-ynedioate,dimethyl butynedioate,dimethyl 2-butynedioate,acetylenedicarboxylic acid dimethyl ester,dmad,methyl acetylenedicarboxylate,bis methoxycarbonyl acetylene,di carbomethoxy acetylene PubChem CID: 12980 IUPAC Name: dimethyl but-2-ynedioate SMILES: COC(=O)C#CC(=O)OC
| PubChem CID | 12980 |
|---|---|
| CAS | 762-42-5 |
| Molecular Weight (g/mol) | 142.11 |
| MDL Number | MFCD00008456 |
| SMILES | COC(=O)C#CC(=O)OC |
| Synonym | dimethyl acetylenedicarboxylate,2-butynedioic acid, dimethyl ester,1,4-dimethyl but-2-ynedioate,dimethyl butynedioate,dimethyl 2-butynedioate,acetylenedicarboxylic acid dimethyl ester,dmad,methyl acetylenedicarboxylate,bis methoxycarbonyl acetylene,di carbomethoxy acetylene |
| IUPAC Name | dimethyl but-2-ynedioate |
| InChI Key | VHILMKFSCRWWIJ-UHFFFAOYSA-N |
| Molecular Formula | C6H6O4 |
N-Benzylacrylamide, 96%
CAS: 13304-62-6 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.204 MDL Number: MFCD00015333 InChI Key: OHLHOLGYGRKZMU-UHFFFAOYSA-N Synonym: n-benzylacrylamide,2-propenamide, n-phenylmethyl,n-benzyl acrylamide,acmc-20ak6s,enamine_005841 PubChem CID: 139428 IUPAC Name: N-benzylprop-2-enamide SMILES: C=CC(=O)NCC1=CC=CC=C1
| PubChem CID | 139428 |
|---|---|
| CAS | 13304-62-6 |
| Molecular Weight (g/mol) | 161.204 |
| MDL Number | MFCD00015333 |
| SMILES | C=CC(=O)NCC1=CC=CC=C1 |
| Synonym | n-benzylacrylamide,2-propenamide, n-phenylmethyl,n-benzyl acrylamide,acmc-20ak6s,enamine_005841 |
| IUPAC Name | N-benzylprop-2-enamide |
| InChI Key | OHLHOLGYGRKZMU-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO |
4-Hydroxybenzenesulfonic acid, 65%
CAS: 98-67-9 Molecular Formula: C6H6O4S Molecular Weight (g/mol): 174.17 MDL Number: MFCD00007506 InChI Key: FEPBITJSIHRMRT-UHFFFAOYSA-N Synonym: p-phenolsulfonic acid,phenolsulfonic acid,4-phenolsulfonic acid,p-sulfophenol,sulfocarbolic acid,benzenesulfonic acid, 4-hydroxy,p-hydroxybenzenesulfonic acid,phenol-4-sulfonic acid,benzenesulfonic acid, p-hydroxy,4-hydroxyphenylsulfonic acid PubChem CID: 4765 ChEBI: CHEBI:32354 IUPAC Name: 4-hydroxybenzenesulfonic acid SMILES: OC1=CC=C(C=C1)S(O)(=O)=O
| PubChem CID | 4765 |
|---|---|
| CAS | 98-67-9 |
| Molecular Weight (g/mol) | 174.17 |
| ChEBI | CHEBI:32354 |
| MDL Number | MFCD00007506 |
| SMILES | OC1=CC=C(C=C1)S(O)(=O)=O |
| Synonym | p-phenolsulfonic acid,phenolsulfonic acid,4-phenolsulfonic acid,p-sulfophenol,sulfocarbolic acid,benzenesulfonic acid, 4-hydroxy,p-hydroxybenzenesulfonic acid,phenol-4-sulfonic acid,benzenesulfonic acid, p-hydroxy,4-hydroxyphenylsulfonic acid |
| IUPAC Name | 4-hydroxybenzenesulfonic acid |
| InChI Key | FEPBITJSIHRMRT-UHFFFAOYSA-N |
| Molecular Formula | C6H6O4S |
tert-Butylphosphonic acid, 98%
CAS: 4923-84-6 Molecular Formula: C4H9O3P Molecular Weight (g/mol): 136.09 MDL Number: MFCD00012296 InChI Key: OGDSVONAYZTTDA-UHFFFAOYSA-L Synonym: phosphonic acid, 1,1-dimethylethyl,acmc-20ajka,t-butylphosphonic acid,tert-butylphosphonic acid,2-methylprop-2-ylphosphonic acid,phosphonicacid, 1,1-dimethylethyl PubChem CID: 312546 IUPAC Name: tert-butylphosphonic acid SMILES: CC(C)(C)P([O-])([O-])=O
| PubChem CID | 312546 |
|---|---|
| CAS | 4923-84-6 |
| Molecular Weight (g/mol) | 136.09 |
| MDL Number | MFCD00012296 |
| SMILES | CC(C)(C)P([O-])([O-])=O |
| Synonym | phosphonic acid, 1,1-dimethylethyl,acmc-20ajka,t-butylphosphonic acid,tert-butylphosphonic acid,2-methylprop-2-ylphosphonic acid,phosphonicacid, 1,1-dimethylethyl |
| IUPAC Name | tert-butylphosphonic acid |
| InChI Key | OGDSVONAYZTTDA-UHFFFAOYSA-L |
| Molecular Formula | C4H9O3P |
Dimethyl 2-hydroxyethylphosphonate, 95%, Thermo Scientific Chemicals
CAS: 54731-72-5 Molecular Formula: C4H11O4P Molecular Weight (g/mol): 154.10 MDL Number: MFCD00043376 InChI Key: TZPPDWDHNIMTDQ-UHFFFAOYSA-N Synonym: dimethyl 2-hydroxyethylphosphonate,dimethyl 2-hydroxyethyl phosphonate,2-hydroxyethylphosphonic acid dimethyl ester,2-hydroxyethyl phosphonic acid dimethyl ester,acmc-1ao1t,2-diethylphosphono ethan-1-ol,tzppdwdhnimtdq-uhfffaoysa,hydroxyethyldimethylphosphonic acid,2-dimethoxyphosphoryl ethan-1-ol PubChem CID: 2733833 IUPAC Name: 2-dimethoxyphosphorylethanol SMILES: COP(=O)(CCO)OC
| PubChem CID | 2733833 |
|---|---|
| CAS | 54731-72-5 |
| Molecular Weight (g/mol) | 154.10 |
| MDL Number | MFCD00043376 |
| SMILES | COP(=O)(CCO)OC |
| Synonym | dimethyl 2-hydroxyethylphosphonate,dimethyl 2-hydroxyethyl phosphonate,2-hydroxyethylphosphonic acid dimethyl ester,2-hydroxyethyl phosphonic acid dimethyl ester,acmc-1ao1t,2-diethylphosphono ethan-1-ol,tzppdwdhnimtdq-uhfffaoysa,hydroxyethyldimethylphosphonic acid,2-dimethoxyphosphoryl ethan-1-ol |
| IUPAC Name | 2-dimethoxyphosphorylethanol |
| InChI Key | TZPPDWDHNIMTDQ-UHFFFAOYSA-N |
| Molecular Formula | C4H11O4P |
2-Hydroxyethyl acrylate, 97%, stabilized
CAS: 818-61-1 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.12 MDL Number: MFCD00002865 InChI Key: OMIGHNLMNHATMP-UHFFFAOYSA-N Synonym: 2-hydroxyethyl acrylate,hydroxyethyl acrylate,2-propenoic acid, 2-hydroxyethyl ester,ethylene glycol monoacrylate,bisomer 2hea,acrylic acid 2-hydroxyethyl ester,2-acryloyloxy ethanol,ethylene glycol, acrylate,acrylic acid, 2-hydroxyethyl ester,2-hydroxyethylacrylate PubChem CID: 13165 IUPAC Name: 2-hydroxyethyl prop-2-enoate SMILES: C=CC(=O)OCCO
| PubChem CID | 13165 |
|---|---|
| CAS | 818-61-1 |
| Molecular Weight (g/mol) | 116.12 |
| MDL Number | MFCD00002865 |
| SMILES | C=CC(=O)OCCO |
| Synonym | 2-hydroxyethyl acrylate,hydroxyethyl acrylate,2-propenoic acid, 2-hydroxyethyl ester,ethylene glycol monoacrylate,bisomer 2hea,acrylic acid 2-hydroxyethyl ester,2-acryloyloxy ethanol,ethylene glycol, acrylate,acrylic acid, 2-hydroxyethyl ester,2-hydroxyethylacrylate |
| IUPAC Name | 2-hydroxyethyl prop-2-enoate |
| InChI Key | OMIGHNLMNHATMP-UHFFFAOYSA-N |
| Molecular Formula | C5H8O3 |
tert-Butyl acrylate, 99%, stabilized
CAS: 1663-39-4 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00008809 InChI Key: ISXSCDLOGDJUNJ-UHFFFAOYSA-N Synonym: tert-butyl acrylate,t-butyl acrylate,tert-butyl propenoate,2-propenoic acid, 1,1-dimethylethyl ester,acrylic acid tert-butyl ester,tert-butylacrylate,acrylic acid, tert-butyl ester,unii-92m2cd1o3g,ccris 7035,2-propenoic acid tert-butyl ester PubChem CID: 15458 IUPAC Name: tert-butyl prop-2-enoate SMILES: CC(C)(C)OC(=O)C=C
| PubChem CID | 15458 |
|---|---|
| CAS | 1663-39-4 |
| Molecular Weight (g/mol) | 128.17 |
| MDL Number | MFCD00008809 |
| SMILES | CC(C)(C)OC(=O)C=C |
| Synonym | tert-butyl acrylate,t-butyl acrylate,tert-butyl propenoate,2-propenoic acid, 1,1-dimethylethyl ester,acrylic acid tert-butyl ester,tert-butylacrylate,acrylic acid, tert-butyl ester,unii-92m2cd1o3g,ccris 7035,2-propenoic acid tert-butyl ester |
| IUPAC Name | tert-butyl prop-2-enoate |
| InChI Key | ISXSCDLOGDJUNJ-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
1-Decanesulfonic acid, sodium salt, 99+%, Ion pair chromatography, anhydrous
CAS: 13419-61-9 Molecular Formula: C10H21NaO3S Molecular Weight (g/mol): 244.32 MDL Number: MFCD00007526 InChI Key: AIMUHNZKNFEZSN-UHFFFAOYSA-M Synonym: sodium decane-1-sulfonate,sodium 1-decanesulfonate,1-decanesulfonic acid sodium salt,1-decanesulfonic acid, sodium salt,decyl sodium sulfonate,sodium decane-1-sulphonate,ipc-alks-10,n-decylsulfonic acid, sodium salt,1-decanesulphonic acid, sodium salt,2-decanesulfonic acid, sodium salt PubChem CID: 2724181 IUPAC Name: sodium;decane-1-sulfonate SMILES: CCCCCCCCCCS(=O)(=O)[O-].[Na+]
| PubChem CID | 2724181 |
|---|---|
| CAS | 13419-61-9 |
| Molecular Weight (g/mol) | 244.32 |
| MDL Number | MFCD00007526 |
| SMILES | CCCCCCCCCCS(=O)(=O)[O-].[Na+] |
| Synonym | sodium decane-1-sulfonate,sodium 1-decanesulfonate,1-decanesulfonic acid sodium salt,1-decanesulfonic acid, sodium salt,decyl sodium sulfonate,sodium decane-1-sulphonate,ipc-alks-10,n-decylsulfonic acid, sodium salt,1-decanesulphonic acid, sodium salt,2-decanesulfonic acid, sodium salt |
| IUPAC Name | sodium;decane-1-sulfonate |
| InChI Key | AIMUHNZKNFEZSN-UHFFFAOYSA-M |
| Molecular Formula | C10H21NaO3S |
Potassium formate, 96%, pract.
CAS: 590-29-4 Molecular Formula: CHKO2 Molecular Weight (g/mol): 84.12 MDL Number: MFCD00013100 InChI Key: WFIZEGIEIOHZCP-UHFFFAOYSA-M Synonym: potassium formate,formic acid potassium salt,formic acid, potassium salt,formic acid, k salt,hcook,mravencan draselny czech,hco2k,formic acid, potassium salt 1:1,potassium formira,64-18-6 parent PubChem CID: 2735122 ChEBI: CHEBI:63316 IUPAC Name: potassium;formate SMILES: C(=O)[O-].[K+]
| PubChem CID | 2735122 |
|---|---|
| CAS | 590-29-4 |
| Molecular Weight (g/mol) | 84.12 |
| ChEBI | CHEBI:63316 |
| MDL Number | MFCD00013100 |
| SMILES | C(=O)[O-].[K+] |
| Synonym | potassium formate,formic acid potassium salt,formic acid, potassium salt,formic acid, k salt,hcook,mravencan draselny czech,hco2k,formic acid, potassium salt 1:1,potassium formira,64-18-6 parent |
| IUPAC Name | potassium;formate |
| InChI Key | WFIZEGIEIOHZCP-UHFFFAOYSA-M |
| Molecular Formula | CHKO2 |
Methyl formate, 98%, for spectroscopy
CAS: 107-31-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 60.05 MDL Number: MFCD00003291 InChI Key: TZIHFWKZFHZASV-UHFFFAOYSA-N Synonym: formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3 PubChem CID: 7865 ChEBI: CHEBI:77699 IUPAC Name: methyl formate SMILES: COC=O
| PubChem CID | 7865 |
|---|---|
| CAS | 107-31-3 |
| Molecular Weight (g/mol) | 60.05 |
| ChEBI | CHEBI:77699 |
| MDL Number | MFCD00003291 |
| SMILES | COC=O |
| Synonym | formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3 |
| IUPAC Name | methyl formate |
| InChI Key | TZIHFWKZFHZASV-UHFFFAOYSA-N |
| Molecular Formula | C2H4O2 |
Bis(4-nitrophenyl) carbonate, 97%
CAS: 5070-13-3 Molecular Formula: C13H8N2O7 Molecular Weight (g/mol): 304.21 MDL Number: MFCD00007322 InChI Key: ACBQROXDOHKANW-UHFFFAOYSA-N Synonym: bis 4-nitrophenyl carbonate,bis p-nitrophenyl carbonate,4,4'-dinitrodiphenyl carbonate,carbonic acid, bis 4-nitrophenyl ester,p,p'-dinitrodiphenylcarbonate,carbonic acid bis 4-nitrophenyl ester,carbonic acid, bis p-nitrophenyl ester,npc bis 4-nitrophenyl carbonate PubChem CID: 78756 IUPAC Name: bis(4-nitrophenyl) carbonate SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
| PubChem CID | 78756 |
|---|---|
| CAS | 5070-13-3 |
| Molecular Weight (g/mol) | 304.21 |
| MDL Number | MFCD00007322 |
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
| Synonym | bis 4-nitrophenyl carbonate,bis p-nitrophenyl carbonate,4,4'-dinitrodiphenyl carbonate,carbonic acid, bis 4-nitrophenyl ester,p,p'-dinitrodiphenylcarbonate,carbonic acid bis 4-nitrophenyl ester,carbonic acid, bis p-nitrophenyl ester,npc bis 4-nitrophenyl carbonate |
| IUPAC Name | bis(4-nitrophenyl) carbonate |
| InChI Key | ACBQROXDOHKANW-UHFFFAOYSA-N |
| Molecular Formula | C13H8N2O7 |
Ethyl 3-hydroxyhexanoate, 97%
CAS: 2305-25-1 Molecular Formula: C8H16O3 Molecular Weight (g/mol): 160.213 MDL Number: MFCD00036604 InChI Key: LYRIITRHDCNUHV-UHFFFAOYSA-N Synonym: hexanoic acid, 3-hydroxy-, ethyl ester,ethyl beta-hydroxycaproate,ethyl 3-hydroxy-hexanoate,ethyl hydroxy-3-hexanoate,3-hydroxyhexanoic acid ethyl ester,fema no. 3545,acmc-20lakf,ethyl 3-hydroxycaproate,ethyl-3-hydrixyhexanoate,ethyl 3-hydroxy hexanoate PubChem CID: 61293 ChEBI: CHEBI:23997 IUPAC Name: ethyl 3-hydroxyhexanoate SMILES: CCCC(CC(=O)OCC)O
| PubChem CID | 61293 |
|---|---|
| CAS | 2305-25-1 |
| Molecular Weight (g/mol) | 160.213 |
| ChEBI | CHEBI:23997 |
| MDL Number | MFCD00036604 |
| SMILES | CCCC(CC(=O)OCC)O |
| Synonym | hexanoic acid, 3-hydroxy-, ethyl ester,ethyl beta-hydroxycaproate,ethyl 3-hydroxy-hexanoate,ethyl hydroxy-3-hexanoate,3-hydroxyhexanoic acid ethyl ester,fema no. 3545,acmc-20lakf,ethyl 3-hydroxycaproate,ethyl-3-hydrixyhexanoate,ethyl 3-hydroxy hexanoate |
| IUPAC Name | ethyl 3-hydroxyhexanoate |
| InChI Key | LYRIITRHDCNUHV-UHFFFAOYSA-N |
| Molecular Formula | C8H16O3 |
Diethylvinylphosphonate, 97%, Thermo Scientific Chemicals
CAS: 682-30-4 Molecular Formula: C6H13O3P Molecular Weight (g/mol): 164.14 MDL Number: MFCD00009079 InChI Key: DREPONDJUKIQLX-UHFFFAOYSA-N Synonym: diethyl vinylphosphonate,vinylphosphonic acid diethyl ester,diethyl vinylphosphate,diethoxyphosphinylethene,phosphonic acid, vinyl-, diethyl ester,diethyl ethenylphosphonate,phosphonic acid, ethenyl-, diethyl ester,1-ethenyl ethoxy phosphoryl oxyethane,acmc-1at5g PubChem CID: 69629 SMILES: CCOP(=O)(OCC)C=C
| PubChem CID | 69629 |
|---|---|
| CAS | 682-30-4 |
| Molecular Weight (g/mol) | 164.14 |
| MDL Number | MFCD00009079 |
| SMILES | CCOP(=O)(OCC)C=C |
| Synonym | diethyl vinylphosphonate,vinylphosphonic acid diethyl ester,diethyl vinylphosphate,diethoxyphosphinylethene,phosphonic acid, vinyl-, diethyl ester,diethyl ethenylphosphonate,phosphonic acid, ethenyl-, diethyl ester,1-ethenyl ethoxy phosphoryl oxyethane,acmc-1at5g |
| InChI Key | DREPONDJUKIQLX-UHFFFAOYSA-N |
| Molecular Formula | C6H13O3P |
(S)-(+)-2-Methylbutyric acid, 98%
CAS: 1730-91-2 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00063166 InChI Key: WLAMNBDJUVNPJU-BYPYZUCNSA-N Synonym: s-+-2-methylbutyric acid,s-2-methylbutanoic acid,s-2-methylbutyric acid,2s-2-methylbutanoic acid,2-methylbutyric acid, s,s-+-2-methylbutanoic acid,smb,s-2-methylbutanoate,butanoic acid, 2-methyl-, s,+-2-methylbutanoic acid PubChem CID: 448893 ChEBI: CHEBI:38655 IUPAC Name: (2S)-2-methylbutanoic acid SMILES: CCC(C)C(=O)O
| PubChem CID | 448893 |
|---|---|
| CAS | 1730-91-2 |
| Molecular Weight (g/mol) | 102.13 |
| ChEBI | CHEBI:38655 |
| MDL Number | MFCD00063166 |
| SMILES | CCC(C)C(=O)O |
| Synonym | s-+-2-methylbutyric acid,s-2-methylbutanoic acid,s-2-methylbutyric acid,2s-2-methylbutanoic acid,2-methylbutyric acid, s,s-+-2-methylbutanoic acid,smb,s-2-methylbutanoate,butanoic acid, 2-methyl-, s,+-2-methylbutanoic acid |
| IUPAC Name | (2S)-2-methylbutanoic acid |
| InChI Key | WLAMNBDJUVNPJU-BYPYZUCNSA-N |
| Molecular Formula | C5H10O2 |