Carboxylic acids and derivatives
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Methyl phenylpropiolate, 97%
CAS: 4891-38-7 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.172 MDL Number: MFCD00041685 InChI Key: JFGWPXKGINUNDH-UHFFFAOYSA-N Synonym: methyl phenylpropiolate,methyl 3-phenylpropiolate,phenylpropynoic acid methyl ester,2-propynoic acid, 3-phenyl-, methyl ester,methyl phenylpropargylate,phenylpropiolic acid methyl ester,propiolic acid, 3-phenyl-, methyl ester,methylphenylpropalate,propiolic acid, phenyl-, methyl ester,methyl phenylpropynoate PubChem CID: 138378 IUPAC Name: methyl 3-phenylprop-2-ynoate SMILES: COC(=O)C#CC1=CC=CC=C1
| PubChem CID | 138378 |
|---|---|
| CAS | 4891-38-7 |
| Molecular Weight (g/mol) | 160.172 |
| MDL Number | MFCD00041685 |
| SMILES | COC(=O)C#CC1=CC=CC=C1 |
| Synonym | methyl phenylpropiolate,methyl 3-phenylpropiolate,phenylpropynoic acid methyl ester,2-propynoic acid, 3-phenyl-, methyl ester,methyl phenylpropargylate,phenylpropiolic acid methyl ester,propiolic acid, 3-phenyl-, methyl ester,methylphenylpropalate,propiolic acid, phenyl-, methyl ester,methyl phenylpropynoate |
| IUPAC Name | methyl 3-phenylprop-2-ynoate |
| InChI Key | JFGWPXKGINUNDH-UHFFFAOYSA-N |
| Molecular Formula | C10H8O2 |
N-Acetylmorpholine, 98%
CAS: 1696-20-4 Molecular Formula: C6H11NO2 Molecular Weight (g/mol): 129.159 MDL Number: MFCD00006171 InChI Key: KYWXRBNOYGGPIZ-UHFFFAOYSA-N Synonym: 4-acetylmorpholine,n-acetylmorpholine,1-morpholinoethanone,morpholine, 4-acetyl,n-acetylmorfolin,n-acetylmorfolin czech,ethanone, 1-4-morpholinyl,n-acetyl morpholine,1-morpholin-4-yl ethan-1-one,acetylmorpholine PubChem CID: 15543 IUPAC Name: 1-morpholin-4-ylethanone SMILES: CC(=O)N1CCOCC1
| PubChem CID | 15543 |
|---|---|
| CAS | 1696-20-4 |
| Molecular Weight (g/mol) | 129.159 |
| MDL Number | MFCD00006171 |
| SMILES | CC(=O)N1CCOCC1 |
| Synonym | 4-acetylmorpholine,n-acetylmorpholine,1-morpholinoethanone,morpholine, 4-acetyl,n-acetylmorfolin,n-acetylmorfolin czech,ethanone, 1-4-morpholinyl,n-acetyl morpholine,1-morpholin-4-yl ethan-1-one,acetylmorpholine |
| IUPAC Name | 1-morpholin-4-ylethanone |
| InChI Key | KYWXRBNOYGGPIZ-UHFFFAOYSA-N |
| Molecular Formula | C6H11NO2 |
3-(3-Methylphenyl)propionic acid, 96%
CAS: 3751-48-2 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00060326 InChI Key: VWXVTHDQAOAENP-UHFFFAOYSA-N Synonym: 3-3-methylphenyl propionic acid,3-3-methylphenyl propanoic acid,3-m-tolyl propanoic acid,3-m-tolylpropionic acid,3-m-tolylpropanoic acid,propionic acid, 3-3-methylphenyl,3-m-tolyl-propionic acid,3-methylhydrocinnamic acid,hydrocinnamicacid,m-methyl,3-methylbenzenepropanoic acid PubChem CID: 138042 IUPAC Name: 3-(3-methylphenyl)propanoic acid SMILES: CC1=CC(=CC=C1)CCC(=O)O
| PubChem CID | 138042 |
|---|---|
| CAS | 3751-48-2 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00060326 |
| SMILES | CC1=CC(=CC=C1)CCC(=O)O |
| Synonym | 3-3-methylphenyl propionic acid,3-3-methylphenyl propanoic acid,3-m-tolyl propanoic acid,3-m-tolylpropionic acid,3-m-tolylpropanoic acid,propionic acid, 3-3-methylphenyl,3-m-tolyl-propionic acid,3-methylhydrocinnamic acid,hydrocinnamicacid,m-methyl,3-methylbenzenepropanoic acid |
| IUPAC Name | 3-(3-methylphenyl)propanoic acid |
| InChI Key | VWXVTHDQAOAENP-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
Methyl 2-methylbutyrate, 98%
CAS: 868-57-5 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009335 InChI Key: OCWLYWIFNDCWRZ-UHFFFAOYNA-N Synonym: methyl 2-methylbutyrate,butanoic acid, 2-methyl-, methyl ester,methyl 2-methyl butyrate,methyl s-2-methylbutanoate,2-methylbutyric acid methyl ester,butyric acid, 2-methyl-, methyl ester,dl-2-methylbutyric acid methyl ester,methyl dl-2-methylbutyrate,methyl alpha-methylbutyrate,methyl alpha-methylbutanoate PubChem CID: 13357 IUPAC Name: methyl 2-methylbutanoate SMILES: CCC(C)C(=O)OC
| PubChem CID | 13357 |
|---|---|
| CAS | 868-57-5 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00009335 |
| SMILES | CCC(C)C(=O)OC |
| Synonym | methyl 2-methylbutyrate,butanoic acid, 2-methyl-, methyl ester,methyl 2-methyl butyrate,methyl s-2-methylbutanoate,2-methylbutyric acid methyl ester,butyric acid, 2-methyl-, methyl ester,dl-2-methylbutyric acid methyl ester,methyl dl-2-methylbutyrate,methyl alpha-methylbutyrate,methyl alpha-methylbutanoate |
| IUPAC Name | methyl 2-methylbutanoate |
| InChI Key | OCWLYWIFNDCWRZ-UHFFFAOYNA-N |
| Molecular Formula | C6H12O2 |
Methyl trans-2-pentenoate, 95%
CAS: 15790-88-2 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00137611 InChI Key: MBAHGFJTIVZLFB-SNAWJCMRSA-N Synonym: methyl 2-pentenoate,methyl trans-2-pentenoate,methyl 2e-pent-2-enoate,2-pentenoic acid, methyl ester,2-pentenoic acid, methyl ester, e,methyl 3-ethylacrylate,methyl 2-transpentenoate,methyl 2-trans-pentenoate,methyl e-2-pentenoate,trans-methyl pent-2-enoate PubChem CID: 5364718 SMILES: CC\C=C\C(=O)OC
| PubChem CID | 5364718 |
|---|---|
| CAS | 15790-88-2 |
| Molecular Weight (g/mol) | 114.14 |
| MDL Number | MFCD00137611 |
| SMILES | CC\C=C\C(=O)OC |
| Synonym | methyl 2-pentenoate,methyl trans-2-pentenoate,methyl 2e-pent-2-enoate,2-pentenoic acid, methyl ester,2-pentenoic acid, methyl ester, e,methyl 3-ethylacrylate,methyl 2-transpentenoate,methyl 2-trans-pentenoate,methyl e-2-pentenoate,trans-methyl pent-2-enoate |
| InChI Key | MBAHGFJTIVZLFB-SNAWJCMRSA-N |
| Molecular Formula | C6H10O2 |
Clomiphene citrate salt, MP Biomedicals™
CAS: 50-41-9 Molecular Formula: C32H36ClNO8 Molecular Weight (g/mol): 598.089 InChI Key: PYTMYKVIJXPNBD-BTKVJIOYSA-N Synonym: clomifene citrate,clomiphene citrate,clomid,cis-clomiphene citrate,clomiphene a citrate,zuclomid,chloramiphene,milophene,serophene,z-clomiphene citrate PubChem CID: 6420009 IUPAC Name: 2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid SMILES: CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
| PubChem CID | 6420009 |
|---|---|
| CAS | 50-41-9 |
| Molecular Weight (g/mol) | 598.089 |
| SMILES | CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| Synonym | clomifene citrate,clomiphene citrate,clomid,cis-clomiphene citrate,clomiphene a citrate,zuclomid,chloramiphene,milophene,serophene,z-clomiphene citrate |
| IUPAC Name | 2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid |
| InChI Key | PYTMYKVIJXPNBD-BTKVJIOYSA-N |
| Molecular Formula | C32H36ClNO8 |
Sodium Benzoate, Powder, NF, 99-101%, Spectrum™ Chemical
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CAS: 532-32-1 Molecular Formula: C7H5NaO2 Molecular Weight (g/mol): 144.11 MDL Number: MFCD00012463 InChI Key: WXMKPNITSTVMEF-UHFFFAOYSA-M IUPAC Name: sodium benzoate SMILES: [Na+].[O-]C(=O)C1=CC=CC=C1
| CAS | 532-32-1 |
|---|---|
| Molecular Weight (g/mol) | 144.11 |
| MDL Number | MFCD00012463 |
| SMILES | [Na+].[O-]C(=O)C1=CC=CC=C1 |
| IUPAC Name | sodium benzoate |
| InChI Key | WXMKPNITSTVMEF-UHFFFAOYSA-M |
| Molecular Formula | C7H5NaO2 |
Diallyl maleate, 95%
CAS: 999-21-3 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.202 MDL Number: MFCD00010763 InChI Key: ZPOLOEWJWXZUSP-WAYWQWQTSA-N Synonym: diallyl fumarate,fumaric acid, diallyl ester,unii-k852lk4c5p,2-butenedioic acid e-, di-2-propenyl ester,2-butenedioic acid 2e-, di-2-propenyl ester,butenedioic acid diallyl ester,1,4-bis prop-2-en-1-yl 2e-but-2-enedioate,2-butenedioic acid 2e-, 1,4-di-2-propen-1-yl ester,diallyl malleate,1,4-bis prop-2-en-1-yl but-2-enedioate PubChem CID: 5354266 IUPAC Name: bis(prop-2-enyl) (Z)-but-2-enedioate SMILES: C=CCOC(=O)C=CC(=O)OCC=C
| PubChem CID | 5354266 |
|---|---|
| CAS | 999-21-3 |
| Molecular Weight (g/mol) | 196.202 |
| MDL Number | MFCD00010763 |
| SMILES | C=CCOC(=O)C=CC(=O)OCC=C |
| Synonym | diallyl fumarate,fumaric acid, diallyl ester,unii-k852lk4c5p,2-butenedioic acid e-, di-2-propenyl ester,2-butenedioic acid 2e-, di-2-propenyl ester,butenedioic acid diallyl ester,1,4-bis prop-2-en-1-yl 2e-but-2-enedioate,2-butenedioic acid 2e-, 1,4-di-2-propen-1-yl ester,diallyl malleate,1,4-bis prop-2-en-1-yl but-2-enedioate |
| IUPAC Name | bis(prop-2-enyl) (Z)-but-2-enedioate |
| InChI Key | ZPOLOEWJWXZUSP-WAYWQWQTSA-N |
| Molecular Formula | C10H12O4 |
N-Acetylethylenediamine, tech. 90%
CAS: 1001-53-2 Molecular Formula: C4H10N2O Molecular Weight (g/mol): 102.137 MDL Number: MFCD00008163 InChI Key: DAKZISABEDGGSV-UHFFFAOYSA-N Synonym: n-2-aminoethyl acetamide,n-acetylethylenediamine,acetamide, n-2-aminoethyl,n-2-amino-ethyl-acetamide,unii-fql33v3kzd,fql33v3kzd,acetylethylenediamine,2-acetamidoethylamine,acetylethylene diamine,n-acetylethylendiamine PubChem CID: 66082 IUPAC Name: N-(2-aminoethyl)acetamide SMILES: CC(=O)NCCN
| PubChem CID | 66082 |
|---|---|
| CAS | 1001-53-2 |
| Molecular Weight (g/mol) | 102.137 |
| MDL Number | MFCD00008163 |
| SMILES | CC(=O)NCCN |
| Synonym | n-2-aminoethyl acetamide,n-acetylethylenediamine,acetamide, n-2-aminoethyl,n-2-amino-ethyl-acetamide,unii-fql33v3kzd,fql33v3kzd,acetylethylenediamine,2-acetamidoethylamine,acetylethylene diamine,n-acetylethylendiamine |
| IUPAC Name | N-(2-aminoethyl)acetamide |
| InChI Key | DAKZISABEDGGSV-UHFFFAOYSA-N |
| Molecular Formula | C4H10N2O |
Diethylenetriamine-N,N,N',N″,N″-pentaacetic acid, 90%, MP Biomedicals™
CAS: 67-43-6 Molecular Formula: C14H23N3O10 Molecular Weight (g/mol): 393.349 InChI Key: QPCDCPDFJACHGM-UHFFFAOYSA-N Synonym: pentetic acid,diethylenetriaminepentaacetic acid,dtpa,detapac,complexon v,detarex,perma kleer,titriplex v,monaquest cai,hamp-ex acid PubChem CID: 3053 ChEBI: CHEBI:35739 IUPAC Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid SMILES: C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
| PubChem CID | 3053 |
|---|---|
| CAS | 67-43-6 |
| Molecular Weight (g/mol) | 393.349 |
| ChEBI | CHEBI:35739 |
| SMILES | C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O |
| Synonym | pentetic acid,diethylenetriaminepentaacetic acid,dtpa,detapac,complexon v,detarex,perma kleer,titriplex v,monaquest cai,hamp-ex acid |
| IUPAC Name | 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid |
| InChI Key | QPCDCPDFJACHGM-UHFFFAOYSA-N |
| Molecular Formula | C14H23N3O10 |
Terephthalic Dihydrazide, Spectrum™ Chemical
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CAS: 136-64-1
| CAS | 136-64-1 |
|---|
2-Ketoglutaric acid, disodium salt, dihydrate, 99%
CAS: 305-72-6 Molecular Formula: C5H4Na2O5·2H2O Molecular Weight (g/mol): 226.1 MDL Number: MFCD00150702 InChI Key: YBGBJYVHJTVUSL-UHFFFAOYSA-L Synonym: disodium 2-oxoglutarate,unii-flp7p4rm46,disodium 2-oxopentanedioate,flp7p4rm46,pentanedioic acid, 2-oxo-, disodium salt,2-oxoglutaric acid disodium salt,2-ketoglutaric acid disodium salt,alpha-ketoglutaric acid sodium salt,disodium ? ketoglutarate,disodium oxoglurate PubChem CID: 31040 IUPAC Name: disodium;2-oxopentanedioate SMILES: C(CC(=O)[O-])C(=O)C(=O)[O-].[Na+].[Na+]
| PubChem CID | 31040 |
|---|---|
| CAS | 305-72-6 |
| Molecular Weight (g/mol) | 226.1 |
| MDL Number | MFCD00150702 |
| SMILES | C(CC(=O)[O-])C(=O)C(=O)[O-].[Na+].[Na+] |
| Synonym | disodium 2-oxoglutarate,unii-flp7p4rm46,disodium 2-oxopentanedioate,flp7p4rm46,pentanedioic acid, 2-oxo-, disodium salt,2-oxoglutaric acid disodium salt,2-ketoglutaric acid disodium salt,alpha-ketoglutaric acid sodium salt,disodium ? ketoglutarate,disodium oxoglurate |
| IUPAC Name | disodium;2-oxopentanedioate |
| InChI Key | YBGBJYVHJTVUSL-UHFFFAOYSA-L |
| Molecular Formula | C5H4Na2O5·2H2O |
1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid, 97%
CAS: 50920-65-5 Molecular Formula: C7H10N2O2 Molecular Weight (g/mol): 154.169 MDL Number: MFCD00156147 InChI Key: VFMGOJUUTAPPDA-UHFFFAOYSA-N Synonym: 1-ethyl-3-methyl-1h-pyrazole-5-carboxylic acid,1-ethyl-3-methylpyrazole-5-carboxylic acid,2-ethyl-5-methyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1-ethyl-3-methyl,maybridge1_008579,acmc-20aovb,1-ethyl-3-methyl-1h-pyrazole-5-carboxylicacid,1-ethyl-3-methylpyrazole-5-carboxylic,1h-pyrazole-5-carboxylicacid, 1-ethyl-3-methyl PubChem CID: 2743794 IUPAC Name: 2-ethyl-5-methylpyrazole-3-carboxylic acid SMILES: CCN1C(=CC(=N1)C)C(=O)O
| PubChem CID | 2743794 |
|---|---|
| CAS | 50920-65-5 |
| Molecular Weight (g/mol) | 154.169 |
| MDL Number | MFCD00156147 |
| SMILES | CCN1C(=CC(=N1)C)C(=O)O |
| Synonym | 1-ethyl-3-methyl-1h-pyrazole-5-carboxylic acid,1-ethyl-3-methylpyrazole-5-carboxylic acid,2-ethyl-5-methyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1-ethyl-3-methyl,maybridge1_008579,acmc-20aovb,1-ethyl-3-methyl-1h-pyrazole-5-carboxylicacid,1-ethyl-3-methylpyrazole-5-carboxylic,1h-pyrazole-5-carboxylicacid, 1-ethyl-3-methyl |
| IUPAC Name | 2-ethyl-5-methylpyrazole-3-carboxylic acid |
| InChI Key | VFMGOJUUTAPPDA-UHFFFAOYSA-N |
| Molecular Formula | C7H10N2O2 |
n-Hexyl methacrylate, 97%, stab. with 100ppm 4-methoxyphenol
CAS: 142-09-6 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.25 MDL Number: MFCD00015283 InChI Key: LNCPIMCVTKXXOY-UHFFFAOYSA-N Synonym: hexyl methacrylate,n-hexyl methacrylate,hexyl 2-methyl-2-propenoate,methacrylic acid, hexyl ester,2-propenoic acid, 2-methyl-, hexyl ester,unii-538b2q3hsv,ccris 4824,hexyl 2-methylacrylate,methacrylic acid hexyl ester,dsstox_cid_5406 PubChem CID: 8872 IUPAC Name: hexyl 2-methylprop-2-enoate SMILES: CCCCCCOC(=O)C(C)=C
| PubChem CID | 8872 |
|---|---|
| CAS | 142-09-6 |
| Molecular Weight (g/mol) | 170.25 |
| MDL Number | MFCD00015283 |
| SMILES | CCCCCCOC(=O)C(C)=C |
| Synonym | hexyl methacrylate,n-hexyl methacrylate,hexyl 2-methyl-2-propenoate,methacrylic acid, hexyl ester,2-propenoic acid, 2-methyl-, hexyl ester,unii-538b2q3hsv,ccris 4824,hexyl 2-methylacrylate,methacrylic acid hexyl ester,dsstox_cid_5406 |
| IUPAC Name | hexyl 2-methylprop-2-enoate |
| InChI Key | LNCPIMCVTKXXOY-UHFFFAOYSA-N |
| Molecular Formula | C10H18O2 |
Calcium Gluconate, Anhydrous, Powder, USP, 98-102%, Spectrum™ Chemical
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CAS: 299-28-5 Molecular Formula: C12H22CaO14 Molecular Weight (g/mol): 430.37 InChI Key: NEEHYRZPVYRGPP-IYEMJOQQSA-L IUPAC Name: calcium bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate) SMILES: [Ca++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O
| CAS | 299-28-5 |
|---|---|
| Molecular Weight (g/mol) | 430.37 |
| SMILES | [Ca++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O |
| IUPAC Name | calcium bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate) |
| InChI Key | NEEHYRZPVYRGPP-IYEMJOQQSA-L |
| Molecular Formula | C12H22CaO14 |