Organic acids and derivatives
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Methyl 2,4,6-trihydroxybenzoate, 98%
CAS: 3147-39-5 Molecular Formula: C8H8O5 Molecular Weight (g/mol): 184.147 MDL Number: MFCD00013969 InChI Key: AQDIJIAUYXOCGX-UHFFFAOYSA-N PubChem CID: 76600 IUPAC Name: methyl 2,4,6-trihydroxybenzoate SMILES: COC(=O)C1=C(C=C(C=C1O)O)O
| PubChem CID | 76600 |
|---|---|
| CAS | 3147-39-5 |
| Molecular Weight (g/mol) | 184.147 |
| MDL Number | MFCD00013969 |
| SMILES | COC(=O)C1=C(C=C(C=C1O)O)O |
| IUPAC Name | methyl 2,4,6-trihydroxybenzoate |
| InChI Key | AQDIJIAUYXOCGX-UHFFFAOYSA-N |
| Molecular Formula | C8H8O5 |
Methyl dimethoxyacetate, 96%
CAS: 89-91-8 Molecular Formula: C5H10O4 Molecular Weight (g/mol): 134.131 MDL Number: MFCD00008484 InChI Key: NZTCVGHPDWAALP-UHFFFAOYSA-N Synonym: methyl dimethoxyacetate,acetic acid, dimethoxy-, methyl ester,dimethoxyacetic acid methyl ester,glyoxylic acid methyl ester dimethyl acetal,acetic acid, 2,2-dimethoxy-, methyl ester,glyoxylic acid, methyl ester, 2-dimethyl acetal,zlchem 519,acmc-209r3k,ksc490c4f,methyl 2,2-dimethoxyethanoate PubChem CID: 66647 IUPAC Name: methyl 2,2-dimethoxyacetate SMILES: COC(C(=O)OC)OC
| PubChem CID | 66647 |
|---|---|
| CAS | 89-91-8 |
| Molecular Weight (g/mol) | 134.131 |
| MDL Number | MFCD00008484 |
| SMILES | COC(C(=O)OC)OC |
| Synonym | methyl dimethoxyacetate,acetic acid, dimethoxy-, methyl ester,dimethoxyacetic acid methyl ester,glyoxylic acid methyl ester dimethyl acetal,acetic acid, 2,2-dimethoxy-, methyl ester,glyoxylic acid, methyl ester, 2-dimethyl acetal,zlchem 519,acmc-209r3k,ksc490c4f,methyl 2,2-dimethoxyethanoate |
| IUPAC Name | methyl 2,2-dimethoxyacetate |
| InChI Key | NZTCVGHPDWAALP-UHFFFAOYSA-N |
| Molecular Formula | C5H10O4 |
2-Sulfobenzoic anhydride, 94%
CAS: 81-08-3 Molecular Formula: C7H4O4S Molecular Weight (g/mol): 184.165 MDL Number: MFCD00005879 InChI Key: NCYNKWQXFADUOZ-UHFFFAOYSA-N Synonym: 2-sulfobenzoic anhydride,2-sulfobenzoic acid cyclic anhydride,sulfobenzoic anhydride,o-sulfobenzoic acid anhydride,3h-2,1-benzoxathiol-3-one, 1,1-dioxide,3h-benzo c 1,2 oxathiol-3-one 1,1-dioxide,unii-0swh68iq5w,o-sulfobenzoic acid, cyclic anhydride,2,1-benzoxathiol-3-one-1,1-dioxide,0swh68iq5w PubChem CID: 65729 IUPAC Name: 1,1-dioxo-2,1$l^{6}-benzoxathiol-3-one SMILES: C1=CC=C2C(=C1)C(=O)OS2(=O)=O
| PubChem CID | 65729 |
|---|---|
| CAS | 81-08-3 |
| Molecular Weight (g/mol) | 184.165 |
| MDL Number | MFCD00005879 |
| SMILES | C1=CC=C2C(=C1)C(=O)OS2(=O)=O |
| Synonym | 2-sulfobenzoic anhydride,2-sulfobenzoic acid cyclic anhydride,sulfobenzoic anhydride,o-sulfobenzoic acid anhydride,3h-2,1-benzoxathiol-3-one, 1,1-dioxide,3h-benzo c 1,2 oxathiol-3-one 1,1-dioxide,unii-0swh68iq5w,o-sulfobenzoic acid, cyclic anhydride,2,1-benzoxathiol-3-one-1,1-dioxide,0swh68iq5w |
| IUPAC Name | 1,1-dioxo-2,1$l^{6}-benzoxathiol-3-one |
| InChI Key | NCYNKWQXFADUOZ-UHFFFAOYSA-N |
| Molecular Formula | C7H4O4S |
Methyl biphenyl-4-carboxylate, 98+%
CAS: 720-75-2 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00017200 InChI Key: GATUGNVDXMYTJX-UHFFFAOYSA-N Synonym: methyl 4-biphenylcarboxylate,methyl biphenyl-4-carboxylate,methyl 1,1'-biphenyl-4-carboxylate,methyl p-phenylbenzoate,4-biphenylcarboxylic acid, methyl ester,1,1'-biphenyl-4-carboxylic acid, methyl ester,p-phenylbenzoic acid methyl ester,methyl-4-phenylbenzoate,4-phenylbenzoic acid methyl ester PubChem CID: 69757 IUPAC Name: methyl 4-phenylbenzoate SMILES: COC(=O)C1=CC=C(C=C1)C1=CC=CC=C1
| PubChem CID | 69757 |
|---|---|
| CAS | 720-75-2 |
| Molecular Weight (g/mol) | 212.25 |
| MDL Number | MFCD00017200 |
| SMILES | COC(=O)C1=CC=C(C=C1)C1=CC=CC=C1 |
| Synonym | methyl 4-biphenylcarboxylate,methyl biphenyl-4-carboxylate,methyl 1,1'-biphenyl-4-carboxylate,methyl p-phenylbenzoate,4-biphenylcarboxylic acid, methyl ester,1,1'-biphenyl-4-carboxylic acid, methyl ester,p-phenylbenzoic acid methyl ester,methyl-4-phenylbenzoate,4-phenylbenzoic acid methyl ester |
| IUPAC Name | methyl 4-phenylbenzoate |
| InChI Key | GATUGNVDXMYTJX-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
Aminomethanesulfonic acid, 97%
CAS: 13881-91-9 Molecular Formula: CH5NO3S Molecular Weight (g/mol): 111.12 MDL Number: MFCD00008124 InChI Key: OBESRABRARNZJB-UHFFFAOYSA-N Synonym: methanesulfonic acid, amino,aminomethanesulphonic acid,aminomethyl sulfonic acid,aminomethylsulfonic acid,unii-ola224z482,methanesulfonic acid, 1-amino,aminomethanesulfonicacid,sodium aminomethanesulphonate,aminomethanesulfonic,aminomethanesulfoniccid PubChem CID: 83791 IUPAC Name: aminomethanesulfonic acid SMILES: C(N)S(=O)(=O)O
| PubChem CID | 83791 |
|---|---|
| CAS | 13881-91-9 |
| Molecular Weight (g/mol) | 111.12 |
| MDL Number | MFCD00008124 |
| SMILES | C(N)S(=O)(=O)O |
| Synonym | methanesulfonic acid, amino,aminomethanesulphonic acid,aminomethyl sulfonic acid,aminomethylsulfonic acid,unii-ola224z482,methanesulfonic acid, 1-amino,aminomethanesulfonicacid,sodium aminomethanesulphonate,aminomethanesulfonic,aminomethanesulfoniccid |
| IUPAC Name | aminomethanesulfonic acid |
| InChI Key | OBESRABRARNZJB-UHFFFAOYSA-N |
| Molecular Formula | CH5NO3S |
Methyl indole-2-carboxylate, 97%
CAS: 1202-04-6 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00460779 InChI Key: NQPIEWBAWBFGOB-UHFFFAOYSA-N Synonym: methyl indole-2-carboxylate,indole-2-carboxylic acid methyl ester,methyl 2-indolecarboxylate,1h-indole-2-carboxylic acid methyl ester,1h-indole-2-carboxylic acid, methyl ester,ethyl-indole-2-caboxylate,pubchem7284,2-methoxycarbonylindole,methylindole-2-carboxylate,buttpark 99\04-61 PubChem CID: 70992 IUPAC Name: methyl 1H-indole-2-carboxylate SMILES: COC(=O)C1=CC2=CC=CC=C2N1
| PubChem CID | 70992 |
|---|---|
| CAS | 1202-04-6 |
| Molecular Weight (g/mol) | 175.19 |
| MDL Number | MFCD00460779 |
| SMILES | COC(=O)C1=CC2=CC=CC=C2N1 |
| Synonym | methyl indole-2-carboxylate,indole-2-carboxylic acid methyl ester,methyl 2-indolecarboxylate,1h-indole-2-carboxylic acid methyl ester,1h-indole-2-carboxylic acid, methyl ester,ethyl-indole-2-caboxylate,pubchem7284,2-methoxycarbonylindole,methylindole-2-carboxylate,buttpark 99\04-61 |
| IUPAC Name | methyl 1H-indole-2-carboxylate |
| InChI Key | NQPIEWBAWBFGOB-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
Methyl 3,5-diaminobenzoate, 99%
CAS: 1949-55-9 Molecular Formula: C8H10N2O2 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00041433 InChI Key: IYWLDOMAEQHKJZ-UHFFFAOYSA-N Synonym: methyl 3,5-diaminobenzenecarboxylate,3,5-diaminobenzoic acid methyl ester,methyldiaminobenzenecarboxylate,3,5-diamino-benzoic acid methyl ester,benzoic acid,3,5-diamino-, methyl ester PubChem CID: 7010431 IUPAC Name: methyl 3,5-diaminobenzoate SMILES: COC(=O)C1=CC(=CC(=C1)N)N
| PubChem CID | 7010431 |
|---|---|
| CAS | 1949-55-9 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00041433 |
| SMILES | COC(=O)C1=CC(=CC(=C1)N)N |
| Synonym | methyl 3,5-diaminobenzenecarboxylate,3,5-diaminobenzoic acid methyl ester,methyldiaminobenzenecarboxylate,3,5-diamino-benzoic acid methyl ester,benzoic acid,3,5-diamino-, methyl ester |
| IUPAC Name | methyl 3,5-diaminobenzoate |
| InChI Key | IYWLDOMAEQHKJZ-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O2 |
Methyl 2,2-dimethylacetoacetate, 99%
CAS: 38923-57-8 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00026232 InChI Key: LVSDLZIEHYYLTC-UHFFFAOYSA-N Synonym: methyl 2,2-dimethylacetoacetate,methyl2,2-dimethylacetoacetate,butanoic acid, 2,2-dimethyl-3-oxo-, methyl ester,methyl 2,2-dimethyl acetoacetate,2,2-dimethylacetoacetic acid methyl ester,2,2-dimethyl-3-oxo-butyric acid methyl ester,2,2-dimethyl-3-oxobutyric acid, methyl ester,methyl 2,2-dimethyl-3-oxobutyrate,pubchem23356,acmc-20akj7 PubChem CID: 96925 IUPAC Name: methyl 2,2-dimethyl-3-oxobutanoate SMILES: COC(=O)C(C)(C)C(C)=O
| PubChem CID | 96925 |
|---|---|
| CAS | 38923-57-8 |
| Molecular Weight (g/mol) | 144.17 |
| MDL Number | MFCD00026232 |
| SMILES | COC(=O)C(C)(C)C(C)=O |
| Synonym | methyl 2,2-dimethylacetoacetate,methyl2,2-dimethylacetoacetate,butanoic acid, 2,2-dimethyl-3-oxo-, methyl ester,methyl 2,2-dimethyl acetoacetate,2,2-dimethylacetoacetic acid methyl ester,2,2-dimethyl-3-oxo-butyric acid methyl ester,2,2-dimethyl-3-oxobutyric acid, methyl ester,methyl 2,2-dimethyl-3-oxobutyrate,pubchem23356,acmc-20akj7 |
| IUPAC Name | methyl 2,2-dimethyl-3-oxobutanoate |
| InChI Key | LVSDLZIEHYYLTC-UHFFFAOYSA-N |
| Molecular Formula | C7H12O3 |
Diethyl ethylidenemalonate, 99%
CAS: 1462-12-0 Molecular Formula: C9H14O4 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00009145 InChI Key: LBBAWVLUOZVYCC-UHFFFAOYSA-N Synonym: diethyl ethylidenemalonate,diethyl 2-ethylidenemalonate,propanedioic acid, ethylidene-, diethyl ester,1,3-diethyl 2-ethylidenepropanedioate,2-ethylidenemalonic acid diethyl ester,diethylethylidenemalonate,acmc-1c0mi,diethyl ethylidene malonate,diethyl ethylidenepropanedioate,diethyl 2-ethylidenemalonate # PubChem CID: 73831 SMILES: CCOC(=O)C(=CC)C(=O)OCC
| PubChem CID | 73831 |
|---|---|
| CAS | 1462-12-0 |
| Molecular Weight (g/mol) | 186.21 |
| MDL Number | MFCD00009145 |
| SMILES | CCOC(=O)C(=CC)C(=O)OCC |
| Synonym | diethyl ethylidenemalonate,diethyl 2-ethylidenemalonate,propanedioic acid, ethylidene-, diethyl ester,1,3-diethyl 2-ethylidenepropanedioate,2-ethylidenemalonic acid diethyl ester,diethylethylidenemalonate,acmc-1c0mi,diethyl ethylidene malonate,diethyl ethylidenepropanedioate,diethyl 2-ethylidenemalonate # |
| InChI Key | LBBAWVLUOZVYCC-UHFFFAOYSA-N |
| Molecular Formula | C9H14O4 |
Methyl 2-methoxypropionate, 98%
CAS: 17639-76-8 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.132 MDL Number: MFCD00151664 InChI Key: VABBJJOSOCPYIT-UHFFFAOYSA-N Synonym: methyl 2-methoxypropionate,propanoic acid, 2-methoxy-, methyl ester,acmc-20akie,d +-alpha-methoxy-propionic acid methyl ester,methyl2-methoxypropanoate,methyl 2-methoxy-propionate,2-methoxypropanoic acid methyl ester,racemic 2-methoxy-propionic acid methyl ester PubChem CID: 86599 IUPAC Name: methyl 2-methoxypropanoate SMILES: CC(C(=O)OC)OC
| PubChem CID | 86599 |
|---|---|
| CAS | 17639-76-8 |
| Molecular Weight (g/mol) | 118.132 |
| MDL Number | MFCD00151664 |
| SMILES | CC(C(=O)OC)OC |
| Synonym | methyl 2-methoxypropionate,propanoic acid, 2-methoxy-, methyl ester,acmc-20akie,d +-alpha-methoxy-propionic acid methyl ester,methyl2-methoxypropanoate,methyl 2-methoxy-propionate,2-methoxypropanoic acid methyl ester,racemic 2-methoxy-propionic acid methyl ester |
| IUPAC Name | methyl 2-methoxypropanoate |
| InChI Key | VABBJJOSOCPYIT-UHFFFAOYSA-N |
| Molecular Formula | C5H10O3 |
Tetra-n-butylammonium trifluoromethanesulfonate, 99%
CAS: 35895-70-6 Molecular Formula: C18H36F3NO2 Molecular Weight (g/mol): 355.49 MDL Number: MFCD00042585 InChI Key: WTEXQPWIUJQYJQ-UHFFFAOYSA-M Synonym: tetrabutylammonium triflate,tetrabutylammonium trifluoromethanesulfonate,tetra-n-butylammonium trifluoromethanesulfonate,tetrabutylammonium ion triflate,trifluoromethanesulfonic acid tetrabutylammonium salt,acmc-1aglb,tetrakis but-1-yl ammonium triflate,tetrabutylazanium; trifluoromethanesulfonate,tetra-n-butylammonium trifluoromethanesulphonate PubChem CID: 2733306 IUPAC Name: tetrabutylazanium;trifluoromethanesulfonate SMILES: [O-]C(=O)C(F)(F)F.CCCC[N+](CCCC)(CCCC)CCCC
| PubChem CID | 2733306 |
|---|---|
| CAS | 35895-70-6 |
| Molecular Weight (g/mol) | 355.49 |
| MDL Number | MFCD00042585 |
| SMILES | [O-]C(=O)C(F)(F)F.CCCC[N+](CCCC)(CCCC)CCCC |
| Synonym | tetrabutylammonium triflate,tetrabutylammonium trifluoromethanesulfonate,tetra-n-butylammonium trifluoromethanesulfonate,tetrabutylammonium ion triflate,trifluoromethanesulfonic acid tetrabutylammonium salt,acmc-1aglb,tetrakis but-1-yl ammonium triflate,tetrabutylazanium; trifluoromethanesulfonate,tetra-n-butylammonium trifluoromethanesulphonate |
| IUPAC Name | tetrabutylazanium;trifluoromethanesulfonate |
| InChI Key | WTEXQPWIUJQYJQ-UHFFFAOYSA-M |
| Molecular Formula | C18H36F3NO2 |
Ethyl 4,4,4-trifluorocrotonate, 98%
CAS: 25597-16-4 Molecular Formula: C6H7F3O2 Molecular Weight (g/mol): 168.12 MDL Number: MFCD00009903 InChI Key: ZKRJCMKLCDWROR-ONEGZZNKSA-N Synonym: ethyl 4,4,4-trifluorocrotonate,ethyl 2e-4,4,4-trifluorobut-2-enoate,ethyl4,4,4-trifluorocrotonate,e-ethyl 4,4,4-trifluorobut-2-enoate,4,4,4-trifluorocrotonic acid ethyl ester,ethyl e-4,4,4-trifluorobut-2-enoate,ethyl-4,4,4-trifluorocrotonate,ethyl 4,4,4-trifluorobut-2-enoate,4,4,4-trifluoro-but-2-enoic acid ethyl ester,2-butenoic acid, 4,4,4-trifluoro-, ethyl ester, 2e PubChem CID: 5371261 IUPAC Name: ethyl (E)-4,4,4-trifluorobut-2-enoate SMILES: CCOC(=O)\C=C\C(F)(F)F
| PubChem CID | 5371261 |
|---|---|
| CAS | 25597-16-4 |
| Molecular Weight (g/mol) | 168.12 |
| MDL Number | MFCD00009903 |
| SMILES | CCOC(=O)\C=C\C(F)(F)F |
| Synonym | ethyl 4,4,4-trifluorocrotonate,ethyl 2e-4,4,4-trifluorobut-2-enoate,ethyl4,4,4-trifluorocrotonate,e-ethyl 4,4,4-trifluorobut-2-enoate,4,4,4-trifluorocrotonic acid ethyl ester,ethyl e-4,4,4-trifluorobut-2-enoate,ethyl-4,4,4-trifluorocrotonate,ethyl 4,4,4-trifluorobut-2-enoate,4,4,4-trifluoro-but-2-enoic acid ethyl ester,2-butenoic acid, 4,4,4-trifluoro-, ethyl ester, 2e |
| IUPAC Name | ethyl (E)-4,4,4-trifluorobut-2-enoate |
| InChI Key | ZKRJCMKLCDWROR-ONEGZZNKSA-N |
| Molecular Formula | C6H7F3O2 |
Methyl trimethylacetate, 99%
CAS: 598-98-1 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00008843 InChI Key: CNMFHDIDIMZHKY-UHFFFAOYSA-N Synonym: methyl pivalate,methyl trimethylacetate,propanoic acid, 2,2-dimethyl-, methyl ester,pivalic acid, methyl ester,unii-bfx9w386ox,bfx9w386ox,pivalic acid methyl ester,methyl pivaloate,methyltrimethylacetate,tert-c4h9cooch3 PubChem CID: 69027 IUPAC Name: methyl 2,2-dimethylpropanoate SMILES: CC(C)(C)C(=O)OC
| PubChem CID | 69027 |
|---|---|
| CAS | 598-98-1 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00008843 |
| SMILES | CC(C)(C)C(=O)OC |
| Synonym | methyl pivalate,methyl trimethylacetate,propanoic acid, 2,2-dimethyl-, methyl ester,pivalic acid, methyl ester,unii-bfx9w386ox,bfx9w386ox,pivalic acid methyl ester,methyl pivaloate,methyltrimethylacetate,tert-c4h9cooch3 |
| IUPAC Name | methyl 2,2-dimethylpropanoate |
| InChI Key | CNMFHDIDIMZHKY-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
m-Toluenesulfonic acid monohydrate, 97%
CAS: 312619-56-0 Molecular Formula: C7H10O4S Molecular Weight (g/mol): 190.213 MDL Number: MFCD00167130 InChI Key: GHLYGGIKYFLYTH-UHFFFAOYSA-N Synonym: 3-methylbenzenesulfonic acid hydrate,m-toluenesulfonic acid monohydrate,m-toluenesulfonic acid hydrate,acmc-20akdl,m-toluenesulfonic acid 1-hydrate,3-toluenesulfonic acid 1-hydrate,3-methylbenzenesulfonic acid hydrate 1:x,benzenesulfonicacid, 3-methyl-, hydrate 1:1 PubChem CID: 53249652 IUPAC Name: 3-methylbenzenesulfonic acid;hydrate SMILES: CC1=CC(=CC=C1)S(=O)(=O)O.O
| PubChem CID | 53249652 |
|---|---|
| CAS | 312619-56-0 |
| Molecular Weight (g/mol) | 190.213 |
| MDL Number | MFCD00167130 |
| SMILES | CC1=CC(=CC=C1)S(=O)(=O)O.O |
| Synonym | 3-methylbenzenesulfonic acid hydrate,m-toluenesulfonic acid monohydrate,m-toluenesulfonic acid hydrate,acmc-20akdl,m-toluenesulfonic acid 1-hydrate,3-toluenesulfonic acid 1-hydrate,3-methylbenzenesulfonic acid hydrate 1:x,benzenesulfonicacid, 3-methyl-, hydrate 1:1 |
| IUPAC Name | 3-methylbenzenesulfonic acid;hydrate |
| InChI Key | GHLYGGIKYFLYTH-UHFFFAOYSA-N |
| Molecular Formula | C7H10O4S |