Organic acids and derivatives
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Allyl acrylate, 95%, stab. with 4-methoxyphenol, Thermo Scientific Chemicals
CAS: 999-55-3 Molecular Formula: C6H8O2 Molecular Weight (g/mol): 112.128 MDL Number: MFCD00014949 InChI Key: QTECDUFMBMSHKR-UHFFFAOYSA-N Synonym: allyl acrylate,acrylic acid, allyl ester,2-propenoic acid, 2-propenyl ester,unii-705ga5o3us,ccris 4745,acrylic acid allyl ester,2-propenoic acid, 2-propen-1-yl ester,allylacrylate,acrylic acid allyl,acmc-20alut PubChem CID: 13835 IUPAC Name: prop-2-enyl prop-2-enoate SMILES: C=CCOC(=O)C=C
| PubChem CID | 13835 |
|---|---|
| CAS | 999-55-3 |
| Molecular Weight (g/mol) | 112.128 |
| MDL Number | MFCD00014949 |
| SMILES | C=CCOC(=O)C=C |
| Synonym | allyl acrylate,acrylic acid, allyl ester,2-propenoic acid, 2-propenyl ester,unii-705ga5o3us,ccris 4745,acrylic acid allyl ester,2-propenoic acid, 2-propen-1-yl ester,allylacrylate,acrylic acid allyl,acmc-20alut |
| IUPAC Name | prop-2-enyl prop-2-enoate |
| InChI Key | QTECDUFMBMSHKR-UHFFFAOYSA-N |
| Molecular Formula | C6H8O2 |
Pyridoxal-5-Phosphate Monohydrate, MP Biomedicals™
CAS: 41468-25-1 Molecular Formula: C8H10NO6P Molecular Weight (g/mol): 247.14 MDL Number: MFCD00006333 InChI Key: NGVDGCNFYWLIFO-UHFFFAOYSA-N Synonym: 4-formyl-5-hydroxy-6-methylpyridin-3-yl methyl dihydrogen phosphate hydrate,pyridoxal phosphate hydrate,pyridoxal 5-phosphate monohydrate,phosphopyridoxal monohydrate,pyridoxyl phosphate monohydrate,unii-5v5ioj8338,pyridoxal-5-phosphate, monohydrate,pyridoxal-5'-phosphate monohydrate,pyridoxal-5-phosphate monohydrate,pyridoxal 5'-phosphate monohydrate PubChem CID: 38882 IUPAC Name: [(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy]phosphonic acid SMILES: CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O
| PubChem CID | 38882 |
|---|---|
| CAS | 41468-25-1 |
| Molecular Weight (g/mol) | 247.14 |
| MDL Number | MFCD00006333 |
| SMILES | CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O |
| Synonym | 4-formyl-5-hydroxy-6-methylpyridin-3-yl methyl dihydrogen phosphate hydrate,pyridoxal phosphate hydrate,pyridoxal 5-phosphate monohydrate,phosphopyridoxal monohydrate,pyridoxyl phosphate monohydrate,unii-5v5ioj8338,pyridoxal-5-phosphate, monohydrate,pyridoxal-5'-phosphate monohydrate,pyridoxal-5-phosphate monohydrate,pyridoxal 5'-phosphate monohydrate |
| IUPAC Name | [(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy]phosphonic acid |
| InChI Key | NGVDGCNFYWLIFO-UHFFFAOYSA-N |
| Molecular Formula | C8H10NO6P |
Thermo Scientific Chemicals Thymolphthalexone
CAS: 1913-93-5 Molecular Formula: C38H44N2O12 Molecular Weight (g/mol): 720.77 MDL Number: MFCD00001619 InChI Key: AGXCADFSYJNMEG-UHFFFAOYNA-N Synonym: thymolphthalexone,thymolphthalein complexon,thymolphthalein complexone,thymolphthalexon,thymolphthalein-3,3'-bismethyliminodiacetic acid,3-1-3-bis carboxymethyl amino methyl-4-hydroxy-5-isopropyl-2-methylphenyl-3-oxo-2-benzofuran-1-yl-6-hydroxy-5-isopropyl-2-methylphenyl methyl carboxymethyl amino acetic acid,n,n'-3-oxo-1 3h-isobenzofuranylidene bis 6-hydroxy-2-methyl-5-1-methylethyl-3,1-phenylene methylene bis n-carboxymethyl glycine,thymophthalexon,3',3-bis n,n-di carboxymethyl aminomethyl thymolphthalein,2,2',2,2'-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl bis 6-hydroxy-5-isopropyl-2-methyl-3,1-phenylene methylenenitrilo tetraacetic acid PubChem CID: 112918 IUPAC Name: 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxymethyl)amino]acetic acid SMILES: CC(C)C1=CC(=C(C)C(C[NH+](CC(O)=O)CC([O-])=O)=C1O)C1(OC(=O)C2=CC=CC=C12)C1=CC(C(C)C)=C(O)C(C[NH+](CC(O)=O)CC([O-])=O)=C1C
| PubChem CID | 112918 |
|---|---|
| CAS | 1913-93-5 |
| Molecular Weight (g/mol) | 720.77 |
| MDL Number | MFCD00001619 |
| SMILES | CC(C)C1=CC(=C(C)C(C[NH+](CC(O)=O)CC([O-])=O)=C1O)C1(OC(=O)C2=CC=CC=C12)C1=CC(C(C)C)=C(O)C(C[NH+](CC(O)=O)CC([O-])=O)=C1C |
| Synonym | thymolphthalexone,thymolphthalein complexon,thymolphthalein complexone,thymolphthalexon,thymolphthalein-3,3'-bismethyliminodiacetic acid,3-1-3-bis carboxymethyl amino methyl-4-hydroxy-5-isopropyl-2-methylphenyl-3-oxo-2-benzofuran-1-yl-6-hydroxy-5-isopropyl-2-methylphenyl methyl carboxymethyl amino acetic acid,n,n'-3-oxo-1 3h-isobenzofuranylidene bis 6-hydroxy-2-methyl-5-1-methylethyl-3,1-phenylene methylene bis n-carboxymethyl glycine,thymophthalexon,3',3-bis n,n-di carboxymethyl aminomethyl thymolphthalein,2,2',2,2'-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl bis 6-hydroxy-5-isopropyl-2-methyl-3,1-phenylene methylenenitrilo tetraacetic acid |
| IUPAC Name | 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxymethyl)amino]acetic acid |
| InChI Key | AGXCADFSYJNMEG-UHFFFAOYNA-N |
| Molecular Formula | C38H44N2O12 |
Diethyl sulfate, 98%
CAS: 64-67-5 Molecular Formula: C4H10O4S Molecular Weight (g/mol): 154.18 MDL Number: MFCD00009099 InChI Key: DENRZWYUOJLTMF-UHFFFAOYSA-N Synonym: sulfuric acid, diethyl ester,diethyl sulphate,diethylsulfate,diaethylsulfat,sulfuric acid diethyl ester,diethyl tetraoxosulfate,diaethylsulfat german,unii-k0fo4vfa7i,des van,diethylester kyseliny sirove PubChem CID: 6163 ChEBI: CHEBI:34699 IUPAC Name: diethyl sulfate SMILES: CCOS(=O)(=O)OCC
| PubChem CID | 6163 |
|---|---|
| CAS | 64-67-5 |
| Molecular Weight (g/mol) | 154.18 |
| ChEBI | CHEBI:34699 |
| MDL Number | MFCD00009099 |
| SMILES | CCOS(=O)(=O)OCC |
| Synonym | sulfuric acid, diethyl ester,diethyl sulphate,diethylsulfate,diaethylsulfat,sulfuric acid diethyl ester,diethyl tetraoxosulfate,diaethylsulfat german,unii-k0fo4vfa7i,des van,diethylester kyseliny sirove |
| IUPAC Name | diethyl sulfate |
| InChI Key | DENRZWYUOJLTMF-UHFFFAOYSA-N |
| Molecular Formula | C4H10O4S |
(Aminomethyl)phosphonic acid, 99%
CAS: 1066-51-9 Molecular Formula: CH6NO3P Molecular Weight (g/mol): 111.037 MDL Number: MFCD00008105 InChI Key: MGRVRXRGTBOSHW-UHFFFAOYSA-N Synonym: aminomethyl phosphonic acid,aminomethanephosphonic acid,amep,1-aminomethylphosphonic acid,1-aminomethylphosphonate,amino methane phosphoric acid,caswell no. 037c,1-aminomethyl phosphonic acid,phosphonic acid, aminomethyl PubChem CID: 14017 ChEBI: CHEBI:28812 IUPAC Name: aminomethylphosphonic acid SMILES: C(N)P(=O)(O)O
| PubChem CID | 14017 |
|---|---|
| CAS | 1066-51-9 |
| Molecular Weight (g/mol) | 111.037 |
| ChEBI | CHEBI:28812 |
| MDL Number | MFCD00008105 |
| SMILES | C(N)P(=O)(O)O |
| Synonym | aminomethyl phosphonic acid,aminomethanephosphonic acid,amep,1-aminomethylphosphonic acid,1-aminomethylphosphonate,amino methane phosphoric acid,caswell no. 037c,1-aminomethyl phosphonic acid,phosphonic acid, aminomethyl |
| IUPAC Name | aminomethylphosphonic acid |
| InChI Key | MGRVRXRGTBOSHW-UHFFFAOYSA-N |
| Molecular Formula | CH6NO3P |
4-Hydroxy-6-methyl-2-pyrone, 98%
CAS: 675-10-5 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.11 MDL Number: MFCD00006641,MFCD18820248 InChI Key: OOKCZXGEYPSNIM-UHFFFAOYSA-N Synonym: 4-hydroxy-6-methyl-2-pyrone,2-hydroxy-6-methyl-4h-pyran-4-one,4-hydroxy-6-methyl-2h-pyran-2-one,triacetic acid lactone,triacetate lactone,2h-pyran-2-one, 4-hydroxy-6-methyl,6-methyl-4-hydroxypyron-2,unii-s1s883s4ee,6-methyl-4-hydroxy-2-pyrone,ccris 3600 PubChem CID: 54675757 ChEBI: CHEBI:16458 IUPAC Name: 4-hydroxy-6-methylpyran-2-one SMILES: CC1=CC(=O)C=C(O)O1
| PubChem CID | 54675757 |
|---|---|
| CAS | 675-10-5 |
| Molecular Weight (g/mol) | 126.11 |
| ChEBI | CHEBI:16458 |
| MDL Number | MFCD00006641,MFCD18820248 |
| SMILES | CC1=CC(=O)C=C(O)O1 |
| Synonym | 4-hydroxy-6-methyl-2-pyrone,2-hydroxy-6-methyl-4h-pyran-4-one,4-hydroxy-6-methyl-2h-pyran-2-one,triacetic acid lactone,triacetate lactone,2h-pyran-2-one, 4-hydroxy-6-methyl,6-methyl-4-hydroxypyron-2,unii-s1s883s4ee,6-methyl-4-hydroxy-2-pyrone,ccris 3600 |
| IUPAC Name | 4-hydroxy-6-methylpyran-2-one |
| InChI Key | OOKCZXGEYPSNIM-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3 |
Methyl m-toluate, 98%
CAS: 99-36-5 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00008436 InChI Key: CPXCDEMFNPKOEF-UHFFFAOYSA-N Synonym: methyl m-toluate,methyl 3-toluate,benzoic acid, 3-methyl-, methyl ester,methyl m-methylbenzoate,meta-toluic acid, methyl ester,3-methylbenzoic acid methyl ester,methyl-m-methyl benzoate,m-toluic acid, methyl ester,methyl3-methylbenzoate,m-toluic acid methyl ester PubChem CID: 7435 IUPAC Name: methyl 3-methylbenzoate SMILES: CC1=CC=CC(=C1)C(=O)OC
| PubChem CID | 7435 |
|---|---|
| CAS | 99-36-5 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00008436 |
| SMILES | CC1=CC=CC(=C1)C(=O)OC |
| Synonym | methyl m-toluate,methyl 3-toluate,benzoic acid, 3-methyl-, methyl ester,methyl m-methylbenzoate,meta-toluic acid, methyl ester,3-methylbenzoic acid methyl ester,methyl-m-methyl benzoate,m-toluic acid, methyl ester,methyl3-methylbenzoate,m-toluic acid methyl ester |
| IUPAC Name | methyl 3-methylbenzoate |
| InChI Key | CPXCDEMFNPKOEF-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
Ethyl 4-bromocrotonate, tech. 80%
CAS: 37746-78-4 Molecular Formula: C6H9BrO2 Molecular Weight (g/mol): 193.04 MDL Number: MFCD00000247 InChI Key: FHGRPBSDPBRTLS-ONEGZZNKSA-N Synonym: ethyl 4-bromocrotonate,e-ethyl 4-bromobut-2-enoate,ethyl 4-bromobut-2-enoate,4-bromocrotonic acid ethyl ester,ethyl 2e-4-bromobut-2-enoate,2-butenoic acid, 4-bromo-, ethyl ester, e,2-butenoic acid, 4-bromo-, ethyl ester,ethyl e-4-bromo-2-butenoate,ethyl e-4-bromobut-2-enoate,ethyl trans-4-bromo-2-butenoate PubChem CID: 5373944 IUPAC Name: ethyl (E)-4-bromobut-2-enoate SMILES: CCOC(=O)C=CCBr
| PubChem CID | 5373944 |
|---|---|
| CAS | 37746-78-4 |
| Molecular Weight (g/mol) | 193.04 |
| MDL Number | MFCD00000247 |
| SMILES | CCOC(=O)C=CCBr |
| Synonym | ethyl 4-bromocrotonate,e-ethyl 4-bromobut-2-enoate,ethyl 4-bromobut-2-enoate,4-bromocrotonic acid ethyl ester,ethyl 2e-4-bromobut-2-enoate,2-butenoic acid, 4-bromo-, ethyl ester, e,2-butenoic acid, 4-bromo-, ethyl ester,ethyl e-4-bromo-2-butenoate,ethyl e-4-bromobut-2-enoate,ethyl trans-4-bromo-2-butenoate |
| IUPAC Name | ethyl (E)-4-bromobut-2-enoate |
| InChI Key | FHGRPBSDPBRTLS-ONEGZZNKSA-N |
| Molecular Formula | C6H9BrO2 |
n-Butylurea, 96%
CAS: 592-31-4 Molecular Formula: C5H12N2O Molecular Weight (g/mol): 116.164 MDL Number: MFCD00007956 InChI Key: CNWSQCLBDWYLAN-UHFFFAOYSA-N Synonym: n-butylurea,1-butylurea,urea, butyl,urea, n-butyl,unii-9cpl5nr15k,n-butyl urea,9cpl5nr15k,dsstox_cid_222,dsstox_rid_75443,dsstox_gsid_20222 PubChem CID: 11595 IUPAC Name: butylurea SMILES: CCCCNC(=O)N
| PubChem CID | 11595 |
|---|---|
| CAS | 592-31-4 |
| Molecular Weight (g/mol) | 116.164 |
| MDL Number | MFCD00007956 |
| SMILES | CCCCNC(=O)N |
| Synonym | n-butylurea,1-butylurea,urea, butyl,urea, n-butyl,unii-9cpl5nr15k,n-butyl urea,9cpl5nr15k,dsstox_cid_222,dsstox_rid_75443,dsstox_gsid_20222 |
| IUPAC Name | butylurea |
| InChI Key | CNWSQCLBDWYLAN-UHFFFAOYSA-N |
| Molecular Formula | C5H12N2O |
Methyl trans-2-hexenoate, 97%
CAS: 13894-63-8 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.171 MDL Number: MFCD00048798 InChI Key: GFUGBRNILVVWIE-AATRIKPKSA-N Synonym: methyl 2-hexenoate,methyl e-2-hexenoate,methyl trans-2-hexenoate,methyl e-hex-2-enoate,methyl 2e-hexenoate,methyl 2e-hex-2-enoate,2-hexenoic acid, methyl ester, e,methyl 2e-2-hexenoate,2e-2-hexenoic acid methyl ester,unii-x2ddu82182 PubChem CID: 5364409 IUPAC Name: methyl (E)-hex-2-enoate SMILES: CCCC=CC(=O)OC
| PubChem CID | 5364409 |
|---|---|
| CAS | 13894-63-8 |
| Molecular Weight (g/mol) | 128.171 |
| MDL Number | MFCD00048798 |
| SMILES | CCCC=CC(=O)OC |
| Synonym | methyl 2-hexenoate,methyl e-2-hexenoate,methyl trans-2-hexenoate,methyl e-hex-2-enoate,methyl 2e-hexenoate,methyl 2e-hex-2-enoate,2-hexenoic acid, methyl ester, e,methyl 2e-2-hexenoate,2e-2-hexenoic acid methyl ester,unii-x2ddu82182 |
| IUPAC Name | methyl (E)-hex-2-enoate |
| InChI Key | GFUGBRNILVVWIE-AATRIKPKSA-N |
| Molecular Formula | C7H12O2 |
Benzenesulfonic acid, tech. ca 75% w/w aq. soln.
CAS: 98-11-3 Molecular Formula: C6H6O3S Molecular Weight (g/mol): 158.171 MDL Number: MFCD00011689 InChI Key: SRSXLGNVWSONIS-UHFFFAOYSA-N Synonym: benzenesulphonic acid,phenylsulfonic acid,besylic acid,benzene sulphonic acid,benzenemonosulfonic acid,benzene sulfonic acid,kyselina benzensulfonova,benzensulfonic acid,ccris 4595,kyselina benzensulfonova czech PubChem CID: 7371 ChEBI: CHEBI:64455 IUPAC Name: benzenesulfonic acid SMILES: C1=CC=C(C=C1)S(=O)(=O)O
| PubChem CID | 7371 |
|---|---|
| CAS | 98-11-3 |
| Molecular Weight (g/mol) | 158.171 |
| ChEBI | CHEBI:64455 |
| MDL Number | MFCD00011689 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)O |
| Synonym | benzenesulphonic acid,phenylsulfonic acid,besylic acid,benzene sulphonic acid,benzenemonosulfonic acid,benzene sulfonic acid,kyselina benzensulfonova,benzensulfonic acid,ccris 4595,kyselina benzensulfonova czech |
| IUPAC Name | benzenesulfonic acid |
| InChI Key | SRSXLGNVWSONIS-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3S |
N,N'-Di-n-butylurea, 98%
CAS: 1792-17-2 Molecular Formula: C9H20N2O Molecular Weight (g/mol): 172.27 MDL Number: MFCD00015229 InChI Key: AQSQFWLMFCKKMG-UHFFFAOYSA-N Synonym: n,n'-dibutylurea,n,n'-di-n-butylurea,urea, n,n'-dibutyl,1,3-dibutyl urea,unii-j2hug1i10w,j2hug1i10w,n-butyl butylamino carboxamide,nn'-dibutylurea,urea,n'-dibutyl,1,3-dibutyl-urea PubChem CID: 74523 IUPAC Name: 1,3-dibutylurea SMILES: CCCCNC(=O)NCCCC
| PubChem CID | 74523 |
|---|---|
| CAS | 1792-17-2 |
| Molecular Weight (g/mol) | 172.27 |
| MDL Number | MFCD00015229 |
| SMILES | CCCCNC(=O)NCCCC |
| Synonym | n,n'-dibutylurea,n,n'-di-n-butylurea,urea, n,n'-dibutyl,1,3-dibutyl urea,unii-j2hug1i10w,j2hug1i10w,n-butyl butylamino carboxamide,nn'-dibutylurea,urea,n'-dibutyl,1,3-dibutyl-urea |
| IUPAC Name | 1,3-dibutylurea |
| InChI Key | AQSQFWLMFCKKMG-UHFFFAOYSA-N |
| Molecular Formula | C9H20N2O |
alpha-Angelicalactone, 98%
CAS: 591-12-8 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.10 MDL Number: MFCD00005375 InChI Key: QOTQFLOTGBBMEX-UHFFFAOYSA-N Synonym: alpha-angelica lactone,alpha-angelicalactone,5-methyl-2 3h-furanone,5-methylfuran-2 3h-one,2 3h-furanone, 5-methyl,4-hydroxypent-3-enoic acid lactone,delta 2-angelica lactone,4-hydroxy-3-pentenoic acid gamma-lactone,gamma-methyl-beta,gamma-crotonolactone,.alpha.-angelica lactone PubChem CID: 11559 ChEBI: CHEBI:36433 IUPAC Name: 5-methyl-3H-furan-2-one SMILES: CC1=CCC(=O)O1
| PubChem CID | 11559 |
|---|---|
| CAS | 591-12-8 |
| Molecular Weight (g/mol) | 98.10 |
| ChEBI | CHEBI:36433 |
| MDL Number | MFCD00005375 |
| SMILES | CC1=CCC(=O)O1 |
| Synonym | alpha-angelica lactone,alpha-angelicalactone,5-methyl-2 3h-furanone,5-methylfuran-2 3h-one,2 3h-furanone, 5-methyl,4-hydroxypent-3-enoic acid lactone,delta 2-angelica lactone,4-hydroxy-3-pentenoic acid gamma-lactone,gamma-methyl-beta,gamma-crotonolactone,.alpha.-angelica lactone |
| IUPAC Name | 5-methyl-3H-furan-2-one |
| InChI Key | QOTQFLOTGBBMEX-UHFFFAOYSA-N |
| Molecular Formula | C5H6O2 |
2-Cyanoacetamide, 99%
CAS: 107-91-5 Molecular Formula: C3H4N2O Molecular Weight (g/mol): 84.08 MDL Number: MFCD00008024 InChI Key: DGJMPUGMZIKDRO-UHFFFAOYSA-N Synonym: cyanoacetamide,acetamide, 2-cyano,cyanacetamide,malonamide nitrile,malonamonitrile,nitrilomalonamide,cyanoiminoacetic acid,3-nitrilo-propionamide,propionamide, 3-nitrilo,usaf kf-14 PubChem CID: 7898 IUPAC Name: 2-cyanoacetamide SMILES: NC(=O)CC#N
| PubChem CID | 7898 |
|---|---|
| CAS | 107-91-5 |
| Molecular Weight (g/mol) | 84.08 |
| MDL Number | MFCD00008024 |
| SMILES | NC(=O)CC#N |
| Synonym | cyanoacetamide,acetamide, 2-cyano,cyanacetamide,malonamide nitrile,malonamonitrile,nitrilomalonamide,cyanoiminoacetic acid,3-nitrilo-propionamide,propionamide, 3-nitrilo,usaf kf-14 |
| IUPAC Name | 2-cyanoacetamide |
| InChI Key | DGJMPUGMZIKDRO-UHFFFAOYSA-N |
| Molecular Formula | C3H4N2O |