Organic acids and derivatives
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1-(Methylsulfonyl)piperazine, 97%
CAS: 55276-43-2 Molecular Formula: C5H13N2O2S Molecular Weight (g/mol): 165.23 MDL Number: MFCD02153225 InChI Key: ZZAKLGGGMWORRT-UHFFFAOYSA-O Synonym: 1-methylsulfonyl piperazine,1-methanesulfonylpiperazine,1-methanesulfonyl-piperazine,1-methylsulfonyl-piperazine,1-methylsulphonyl piperazine,methylsulfonyl piperazine,piperazine, 1-methylsulfonyl,1-n-methanesulfonylpiperazine,4-methylsulfonylpiperazine,n-mesylpiperazine PubChem CID: 709161 IUPAC Name: 1-methylsulfonylpiperazine SMILES: CS(=O)(=O)N1CC[NH2+]CC1
| PubChem CID | 709161 |
|---|---|
| CAS | 55276-43-2 |
| Molecular Weight (g/mol) | 165.23 |
| MDL Number | MFCD02153225 |
| SMILES | CS(=O)(=O)N1CC[NH2+]CC1 |
| Synonym | 1-methylsulfonyl piperazine,1-methanesulfonylpiperazine,1-methanesulfonyl-piperazine,1-methylsulfonyl-piperazine,1-methylsulphonyl piperazine,methylsulfonyl piperazine,piperazine, 1-methylsulfonyl,1-n-methanesulfonylpiperazine,4-methylsulfonylpiperazine,n-mesylpiperazine |
| IUPAC Name | 1-methylsulfonylpiperazine |
| InChI Key | ZZAKLGGGMWORRT-UHFFFAOYSA-O |
| Molecular Formula | C5H13N2O2S |
Ethyl 2-(bromomethyl)acrylate, 97%
CAS: 17435-72-2 Molecular Formula: C6H9BrO2 Molecular Weight (g/mol): 193.04 MDL Number: MFCD00031518 InChI Key: MTCMFVTVXAOHNQ-UHFFFAOYSA-N Synonym: ethyl 2-bromomethyl acrylate,ethyl 2-bromomethyl prop-2-enoate,2-bromomethyl acrylic acid ethyl ester,ethyl alpha-bromomethyl acrylate,2-propenoic acid, 2-bromomethyl-, ethyl ester,2-bromomethyl-acrylic acid ethyl ester,ethyl-2-bromomethylacrylate,ethyl 2-bromomethylacrylate,acmc-1bo78,ksc181c2b PubChem CID: 310620 IUPAC Name: ethyl 2-(bromomethyl)prop-2-enoate SMILES: CCOC(=O)C(=C)CBr
| PubChem CID | 310620 |
|---|---|
| CAS | 17435-72-2 |
| Molecular Weight (g/mol) | 193.04 |
| MDL Number | MFCD00031518 |
| SMILES | CCOC(=O)C(=C)CBr |
| Synonym | ethyl 2-bromomethyl acrylate,ethyl 2-bromomethyl prop-2-enoate,2-bromomethyl acrylic acid ethyl ester,ethyl alpha-bromomethyl acrylate,2-propenoic acid, 2-bromomethyl-, ethyl ester,2-bromomethyl-acrylic acid ethyl ester,ethyl-2-bromomethylacrylate,ethyl 2-bromomethylacrylate,acmc-1bo78,ksc181c2b |
| IUPAC Name | ethyl 2-(bromomethyl)prop-2-enoate |
| InChI Key | MTCMFVTVXAOHNQ-UHFFFAOYSA-N |
| Molecular Formula | C6H9BrO2 |
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 |
Furan-2-boronic acid pinacol ester, 96%
CAS: 374790-93-9 Molecular Formula: C10H15BO3 Molecular Weight (g/mol): 194.04 MDL Number: MFCD02094008 InChI Key: GWEWQKZABZXLJH-UHFFFAOYSA-N Synonym: 2-furanboronic acid pinacol ester,furan-2-boronic acid pinacol ester,2-2-furanyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-furan-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,furan-2-boronic acid pinacol cyclic ester,2-2-furyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2'-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl furan,1,3,2-dioxaborolane, 2-2-furanyl-4,4,5,5-tetramethyl,zlchem 693,pubchem18440 PubChem CID: 11356013 IUPAC Name: 2-(furan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C1=CC=CO1
| PubChem CID | 11356013 |
|---|---|
| CAS | 374790-93-9 |
| Molecular Weight (g/mol) | 194.04 |
| MDL Number | MFCD02094008 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC=CO1 |
| Synonym | 2-furanboronic acid pinacol ester,furan-2-boronic acid pinacol ester,2-2-furanyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-furan-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,furan-2-boronic acid pinacol cyclic ester,2-2-furyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2'-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl furan,1,3,2-dioxaborolane, 2-2-furanyl-4,4,5,5-tetramethyl,zlchem 693,pubchem18440 |
| IUPAC Name | 2-(furan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | GWEWQKZABZXLJH-UHFFFAOYSA-N |
| Molecular Formula | C10H15BO3 |
Methyl thiophene-2-carboxylate, 97%
CAS: 5380-42-7 Molecular Formula: C6H6O2S Molecular Weight (g/mol): 142.17 MDL Number: MFCD00016895 InChI Key: PGBFYLVIMDQYMS-UHFFFAOYSA-N Synonym: methyl 2-thiophenecarboxylate,methyl thenoate,methylthiophene-2-carboxylate,2-thiophenecarboxylic acid methyl ester,2-carbomethoxy thiophene,2-thiophenecarboxylic acid, methyl ester,thiophenate methyl,2-methoxycarbonyl thiophene,methyl 2-thiophene carboxylate,thiophenate-methyl PubChem CID: 79340 IUPAC Name: methyl thiophene-2-carboxylate SMILES: COC(=O)C1=CC=CS1
| PubChem CID | 79340 |
|---|---|
| CAS | 5380-42-7 |
| Molecular Weight (g/mol) | 142.17 |
| MDL Number | MFCD00016895 |
| SMILES | COC(=O)C1=CC=CS1 |
| Synonym | methyl 2-thiophenecarboxylate,methyl thenoate,methylthiophene-2-carboxylate,2-thiophenecarboxylic acid methyl ester,2-carbomethoxy thiophene,2-thiophenecarboxylic acid, methyl ester,thiophenate methyl,2-methoxycarbonyl thiophene,methyl 2-thiophene carboxylate,thiophenate-methyl |
| IUPAC Name | methyl thiophene-2-carboxylate |
| InChI Key | PGBFYLVIMDQYMS-UHFFFAOYSA-N |
| Molecular Formula | C6H6O2S |
5,6-Dihydrouracil, 97%
CAS: 504-07-4 Molecular Formula: C4H6N2O2 Molecular Weight (g/mol): 114.10 MDL Number: MFCD00006029 InChI Key: OIVLITBTBDPEFK-UHFFFAOYSA-N Synonym: dihydrouracil,5,6-dihydrouracil,hydrouracil,5,6-dihydro-2,4-dihydroxypyrimidine,dihydropyrimidine-2,4 1h,3h-dione,dihydrouracile,2,4 1h,3h-pyrimidinedione, dihydro,di-h-uracil,dihydro-2,4 1h,3h-pyrimidinedione,hydrouracil 8ci PubChem CID: 649 ChEBI: CHEBI:15901 IUPAC Name: 1,3-diazinane-2,4-dione SMILES: O=C1CCNC(=O)N1
| PubChem CID | 649 |
|---|---|
| CAS | 504-07-4 |
| Molecular Weight (g/mol) | 114.10 |
| ChEBI | CHEBI:15901 |
| MDL Number | MFCD00006029 |
| SMILES | O=C1CCNC(=O)N1 |
| Synonym | dihydrouracil,5,6-dihydrouracil,hydrouracil,5,6-dihydro-2,4-dihydroxypyrimidine,dihydropyrimidine-2,4 1h,3h-dione,dihydrouracile,2,4 1h,3h-pyrimidinedione, dihydro,di-h-uracil,dihydro-2,4 1h,3h-pyrimidinedione,hydrouracil 8ci |
| IUPAC Name | 1,3-diazinane-2,4-dione |
| InChI Key | OIVLITBTBDPEFK-UHFFFAOYSA-N |
| Molecular Formula | C4H6N2O2 |
Nickel(II) trifluoromethanesulfonate, 96%, Thermo Scientific Chemicals
CAS: 60871-84-3 Molecular Formula: C2F6NiO6S2 Molecular Weight (g/mol): 356.82 MDL Number: MFCD00673740 InChI Key: KVRSDIJOUNNFMZ-UHFFFAOYSA-L Synonym: nickel ii trifluoromethanesulfonate,nickel ii triflate,nickel 2+ ditriflate,trifluoromethanesulfonic acid nickel ii salt,nickel triflate,acmc-209mmw,ni otf 2,nickelous trifluoromethanesulfonate,nickel 2+ ion ditriflate PubChem CID: 9820095 IUPAC Name: nickel(2+);trifluoromethanesulfonate SMILES: [Ni++].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F
| PubChem CID | 9820095 |
|---|---|
| CAS | 60871-84-3 |
| Molecular Weight (g/mol) | 356.82 |
| MDL Number | MFCD00673740 |
| SMILES | [Ni++].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F |
| Synonym | nickel ii trifluoromethanesulfonate,nickel ii triflate,nickel 2+ ditriflate,trifluoromethanesulfonic acid nickel ii salt,nickel triflate,acmc-209mmw,ni otf 2,nickelous trifluoromethanesulfonate,nickel 2+ ion ditriflate |
| IUPAC Name | nickel(2+);trifluoromethanesulfonate |
| InChI Key | KVRSDIJOUNNFMZ-UHFFFAOYSA-L |
| Molecular Formula | C2F6NiO6S2 |
Methyl 3-methylthiophene-2-carboxylate, 99%
CAS: 81452-54-2 Molecular Formula: C7H8O2S Molecular Weight (g/mol): 156.20 MDL Number: MFCD00234332 InChI Key: BRWROFVPMUPMJQ-UHFFFAOYSA-N Synonym: methyl 3-methyl-2-thiophenecarboxylate,3-methylthiophene-2-carboxylic acid methyl ester,3-methyl-thiophene-2-carboxylic acid methyl ester,2-thiophenecarboxylic acid, 3-methyl-, methyl ester,methyl 3-methyl-thiophene-2-carboxylate,d methyl ester,3-methyl-thiophene-2-carboxylic acid,pubchem10098,pubchem22915,ksc495k9b PubChem CID: 580757 IUPAC Name: methyl 3-methylthiophene-2-carboxylate SMILES: COC(=O)C1=C(C)C=CS1
| PubChem CID | 580757 |
|---|---|
| CAS | 81452-54-2 |
| Molecular Weight (g/mol) | 156.20 |
| MDL Number | MFCD00234332 |
| SMILES | COC(=O)C1=C(C)C=CS1 |
| Synonym | methyl 3-methyl-2-thiophenecarboxylate,3-methylthiophene-2-carboxylic acid methyl ester,3-methyl-thiophene-2-carboxylic acid methyl ester,2-thiophenecarboxylic acid, 3-methyl-, methyl ester,methyl 3-methyl-thiophene-2-carboxylate,d methyl ester,3-methyl-thiophene-2-carboxylic acid,pubchem10098,pubchem22915,ksc495k9b |
| IUPAC Name | methyl 3-methylthiophene-2-carboxylate |
| InChI Key | BRWROFVPMUPMJQ-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2S |
Methyl crotonate, 96%, trans-isomer
CAS: 623-43-8 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00009287 InChI Key: MCVVUJPXSBQTRZ-ONEGZZNKSA-N Synonym: methyl crotonate,e-methyl but-2-enoate,trans-methyl crotonate,methyl e-crotonate,methyl 2-butenoate,methyl trans-crotonate,2-butenoic acid, methyl ester, 2e,trans-2-butenoic acid methyl ester,methyl trans-2-butenoate,e-crotonic acid methyl ester PubChem CID: 638132 IUPAC Name: methyl (E)-but-2-enoate SMILES: COC(=O)\C=C\C
| PubChem CID | 638132 |
|---|---|
| CAS | 623-43-8 |
| Molecular Weight (g/mol) | 100.12 |
| MDL Number | MFCD00009287 |
| SMILES | COC(=O)\C=C\C |
| Synonym | methyl crotonate,e-methyl but-2-enoate,trans-methyl crotonate,methyl e-crotonate,methyl 2-butenoate,methyl trans-crotonate,2-butenoic acid, methyl ester, 2e,trans-2-butenoic acid methyl ester,methyl trans-2-butenoate,e-crotonic acid methyl ester |
| IUPAC Name | methyl (E)-but-2-enoate |
| InChI Key | MCVVUJPXSBQTRZ-ONEGZZNKSA-N |
| Molecular Formula | C5H8O2 |
Ethyl propiolate, 99%
CAS: 623-47-2 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.10 MDL Number: MFCD00009184 InChI Key: FMVJYQGSRWVMQV-UHFFFAOYSA-N Synonym: ethyl propiolate,ethyl acetylenecarboxylate,2-propynoic acid, ethyl ester,propiolic acid ethyl ester,ethyl propynoate,ethoxycarbonyl acetylene,ethyl 2-propynoate,propiolic acid, ethyl ester,unii-w235g5u52s,propynoic acid ethyl ester PubChem CID: 12182 ChEBI: CHEBI:51740 IUPAC Name: ethyl prop-2-ynoate SMILES: CCOC(=O)C#C
| PubChem CID | 12182 |
|---|---|
| CAS | 623-47-2 |
| Molecular Weight (g/mol) | 98.10 |
| ChEBI | CHEBI:51740 |
| MDL Number | MFCD00009184 |
| SMILES | CCOC(=O)C#C |
| Synonym | ethyl propiolate,ethyl acetylenecarboxylate,2-propynoic acid, ethyl ester,propiolic acid ethyl ester,ethyl propynoate,ethoxycarbonyl acetylene,ethyl 2-propynoate,propiolic acid, ethyl ester,unii-w235g5u52s,propynoic acid ethyl ester |
| IUPAC Name | ethyl prop-2-ynoate |
| InChI Key | FMVJYQGSRWVMQV-UHFFFAOYSA-N |
| Molecular Formula | C5H6O2 |
Isopropenyl acetate, 99%
CAS: 108-22-5 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00008709 InChI Key: HETCEOQFVDFGSY-UHFFFAOYSA-N Synonym: isopropenyl acetate,2-acetoxypropene,1-methylvinyl acetate,2-acetoxypropylene,methylvinyl acetate,1-propen-2-ol, acetate,propen-2-yl acetate,acetic acid isopropenyl ester,1-acetoxy-1-methylethylene,1-propen-2-yl acetate PubChem CID: 7916 IUPAC Name: prop-1-en-2-yl acetate SMILES: CC(=C)OC(C)=O
| PubChem CID | 7916 |
|---|---|
| CAS | 108-22-5 |
| Molecular Weight (g/mol) | 100.12 |
| MDL Number | MFCD00008709 |
| SMILES | CC(=C)OC(C)=O |
| Synonym | isopropenyl acetate,2-acetoxypropene,1-methylvinyl acetate,2-acetoxypropylene,methylvinyl acetate,1-propen-2-ol, acetate,propen-2-yl acetate,acetic acid isopropenyl ester,1-acetoxy-1-methylethylene,1-propen-2-yl acetate |
| IUPAC Name | prop-1-en-2-yl acetate |
| InChI Key | HETCEOQFVDFGSY-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |
Hydantoin-5-acetic acid, 98%
CAS: 5427-26-9 Molecular Formula: C5H6N2O4 Molecular Weight (g/mol): 158.11 MDL Number: MFCD00005267 InChI Key: DQQLZADYSWBCOX-UHFFFAOYNA-N Synonym: hydantoin-5-acetic acid,5-hydantoinacetic acid,2,5-dioxoimidazolidin-4-yl acetic acid,5-hydantoin acetic acid,2-2,5-dioxoimidazolidin-4-yl acetic acid,4-imidazolidineacetic acid, 2,5-dioxo,2,5-dioxo-1,3-diazolidin-4-ylacetic acid,2-2,5-dioxo-1,3-diazolidin-4-yl acetic acid,5-carboxymethylhydantoin,acmc-20akr6 PubChem CID: 95492 IUPAC Name: 2-(2,5-dioxoimidazolidin-4-yl)acetic acid SMILES: OC(=O)CC1NC(=O)NC1=O
| PubChem CID | 95492 |
|---|---|
| CAS | 5427-26-9 |
| Molecular Weight (g/mol) | 158.11 |
| MDL Number | MFCD00005267 |
| SMILES | OC(=O)CC1NC(=O)NC1=O |
| Synonym | hydantoin-5-acetic acid,5-hydantoinacetic acid,2,5-dioxoimidazolidin-4-yl acetic acid,5-hydantoin acetic acid,2-2,5-dioxoimidazolidin-4-yl acetic acid,4-imidazolidineacetic acid, 2,5-dioxo,2,5-dioxo-1,3-diazolidin-4-ylacetic acid,2-2,5-dioxo-1,3-diazolidin-4-yl acetic acid,5-carboxymethylhydantoin,acmc-20akr6 |
| IUPAC Name | 2-(2,5-dioxoimidazolidin-4-yl)acetic acid |
| InChI Key | DQQLZADYSWBCOX-UHFFFAOYNA-N |
| Molecular Formula | C5H6N2O4 |
Methyl hydrogen phthalate, 97%
CAS: 4376-18-5 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00002466 InChI Key: FNJSWIPFHMKRAT-UHFFFAOYSA-N Synonym: 2-methoxycarbonyl benzoic acid,methyl hydrogen phthalate,monomethyl phthalate,mono-methyl phthalate,phthalic acid monomethyl ester,o-methoxycarbonyl benzoic acid,monomethyl 1,2-benzenedicarboxylate,phthalic acid, monomethyl ester,monomethylphthalate,unii-2stt6d18jr PubChem CID: 20392 IUPAC Name: 2-methoxycarbonylbenzoic acid SMILES: COC(=O)C1=CC=CC=C1C(O)=O
| PubChem CID | 20392 |
|---|---|
| CAS | 4376-18-5 |
| Molecular Weight (g/mol) | 180.16 |
| MDL Number | MFCD00002466 |
| SMILES | COC(=O)C1=CC=CC=C1C(O)=O |
| Synonym | 2-methoxycarbonyl benzoic acid,methyl hydrogen phthalate,monomethyl phthalate,mono-methyl phthalate,phthalic acid monomethyl ester,o-methoxycarbonyl benzoic acid,monomethyl 1,2-benzenedicarboxylate,phthalic acid, monomethyl ester,monomethylphthalate,unii-2stt6d18jr |
| IUPAC Name | 2-methoxycarbonylbenzoic acid |
| InChI Key | FNJSWIPFHMKRAT-UHFFFAOYSA-N |
| Molecular Formula | C9H8O4 |
Silver(I) citrate hydrate
CAS: 206986-90-5 Molecular Formula: C6H5Ag3O7 Molecular Weight (g/mol): 512.70 MDL Number: MFCD00150589 InChI Key: QUTYHQJYVDNJJA-UHFFFAOYSA-K Synonym: silver i citrate hydrate,trisilver 1+ citrate hydrate PubChem CID: 16212313 IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;silver;hydrate SMILES: [Ag+].[Ag+].[Ag+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
| PubChem CID | 16212313 |
|---|---|
| CAS | 206986-90-5 |
| Molecular Weight (g/mol) | 512.70 |
| MDL Number | MFCD00150589 |
| SMILES | [Ag+].[Ag+].[Ag+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O |
| Synonym | silver i citrate hydrate,trisilver 1+ citrate hydrate |
| IUPAC Name | 2-hydroxypropane-1,2,3-tricarboxylic acid;silver;hydrate |
| InChI Key | QUTYHQJYVDNJJA-UHFFFAOYSA-K |
| Molecular Formula | C6H5Ag3O7 |
Dimethyl fumarate, 99%
CAS: 624-49-7 Molecular Formula: C6H8O4 Molecular Weight (g/mol): 144.126 MDL Number: MFCD00064438 InChI Key: LDCRTTXIJACKKU-ONEGZZNKSA-N Synonym: dimethyl fumarate,tecfidera,e-dimethyl fumarate,fumaderm,dimethyl e-but-2-enedioate,fumaric acid, dimethyl ester,boletic acid dimethyl ester,fumaric acid dimethyl ester,methyl fumarate,dimethyl trans-ethylenedicarboxylate PubChem CID: 637568 ChEBI: CHEBI:76004 IUPAC Name: dimethyl (E)-but-2-enedioate SMILES: COC(=O)C=CC(=O)OC
| PubChem CID | 637568 |
|---|---|
| CAS | 624-49-7 |
| Molecular Weight (g/mol) | 144.126 |
| ChEBI | CHEBI:76004 |
| MDL Number | MFCD00064438 |
| SMILES | COC(=O)C=CC(=O)OC |
| Synonym | dimethyl fumarate,tecfidera,e-dimethyl fumarate,fumaderm,dimethyl e-but-2-enedioate,fumaric acid, dimethyl ester,boletic acid dimethyl ester,fumaric acid dimethyl ester,methyl fumarate,dimethyl trans-ethylenedicarboxylate |
| IUPAC Name | dimethyl (E)-but-2-enedioate |
| InChI Key | LDCRTTXIJACKKU-ONEGZZNKSA-N |
| Molecular Formula | C6H8O4 |