Organic acids and derivatives
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Dimethyl trans-1,4-Cyclohexanedicarboxylate 96.0+%, TCI America™
CAS: 3399-22-2 Molecular Formula: C10H16O4 Molecular Weight (g/mol): 200.23 MDL Number: MFCD00063917,MFCD00001460,MFCD00216473 InChI Key: LNGAGQAGYITKCW-UHFFFAOYSA-N Synonym: dimethyl 1,4-cyclohexanedicarboxylate,dimethyl trans-1,4-cyclohexanedicarboxylate,1r,4r-dimethyl cyclohexane-1,4-dicarboxylate,cis-dimethyl cyclohexane-1,4-dicarboxylate,dimethyl trans-cyclohexane-1,4-dicarboxylate,1,4-cyclohexanedicarboxylic acid, dimethyl ester,dimethyl hexahydroterephthalate,trans-dimethyl cyclohexane-1,4-dicarboxylate,1,4-cyclohexanedicarboxylic acid, dimethyl ester, trans,unii-ys87mds0zv PubChem CID: 7198 IUPAC Name: 1,4-dimethyl cyclohexane-1,4-dicarboxylate SMILES: COC(=O)C1CCC(CC1)C(=O)OC
| PubChem CID | 7198 |
|---|---|
| CAS | 3399-22-2 |
| Molecular Weight (g/mol) | 200.23 |
| MDL Number | MFCD00063917,MFCD00001460,MFCD00216473 |
| SMILES | COC(=O)C1CCC(CC1)C(=O)OC |
| Synonym | dimethyl 1,4-cyclohexanedicarboxylate,dimethyl trans-1,4-cyclohexanedicarboxylate,1r,4r-dimethyl cyclohexane-1,4-dicarboxylate,cis-dimethyl cyclohexane-1,4-dicarboxylate,dimethyl trans-cyclohexane-1,4-dicarboxylate,1,4-cyclohexanedicarboxylic acid, dimethyl ester,dimethyl hexahydroterephthalate,trans-dimethyl cyclohexane-1,4-dicarboxylate,1,4-cyclohexanedicarboxylic acid, dimethyl ester, trans,unii-ys87mds0zv |
| IUPAC Name | 1,4-dimethyl cyclohexane-1,4-dicarboxylate |
| InChI Key | LNGAGQAGYITKCW-UHFFFAOYSA-N |
| Molecular Formula | C10H16O4 |
Isoamyl Angelate 99.0+%, TCI America™
CAS: 10482-55-0 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.25 MDL Number: MFCD00213789 InChI Key: ZARFDQHJMNVNLE-UITAMQMPSA-N Synonym: Angelic Acid Isoamyl Ester, Isoamyl (Z)-2-Methyl-2-butenoate, (Z)-2-Methyl-2-butenoic Acid Isoamyl Ester PubChem CID: 5366155 IUPAC Name: 3-methylbutyl (2Z)-2-methylbut-2-enoate SMILES: C\C=C(\C)C(=O)OCCC(C)C
| PubChem CID | 5366155 |
|---|---|
| CAS | 10482-55-0 |
| Molecular Weight (g/mol) | 170.25 |
| MDL Number | MFCD00213789 |
| SMILES | C\C=C(\C)C(=O)OCCC(C)C |
| Synonym | Angelic Acid Isoamyl Ester, Isoamyl (Z)-2-Methyl-2-butenoate, (Z)-2-Methyl-2-butenoic Acid Isoamyl Ester |
| IUPAC Name | 3-methylbutyl (2Z)-2-methylbut-2-enoate |
| InChI Key | ZARFDQHJMNVNLE-UITAMQMPSA-N |
| Molecular Formula | C10H18O2 |
Dimethyl Decahydro-1,4-naphthalenedicarboxylate (mixture of isomers) 97.0+%, TCI America™
CAS: 3068-03-9 Molecular Formula: C14H22O4 Molecular Weight (g/mol): 254.33 InChI Key: ZBJLWSVNFCKFTB-UHFFFAOYNA-N Synonym: Decahydro-1,4-naphthalenedicarboxylic Acid Dimethyl Ester PubChem CID: 91658998 IUPAC Name: dimethyl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylate SMILES: COC(=O)C1CCC(C2C1CCCC2)C(=O)OC
| PubChem CID | 91658998 |
|---|---|
| CAS | 3068-03-9 |
| Molecular Weight (g/mol) | 254.33 |
| SMILES | COC(=O)C1CCC(C2C1CCCC2)C(=O)OC |
| Synonym | Decahydro-1,4-naphthalenedicarboxylic Acid Dimethyl Ester |
| IUPAC Name | dimethyl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylate |
| InChI Key | ZBJLWSVNFCKFTB-UHFFFAOYNA-N |
| Molecular Formula | C14H22O4 |
Dimethyl cis-4-Cyclohexene-1,2-dicarboxylate 97.0+%, TCI America™
CAS: 4841-84-3 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.218 MDL Number: MFCD00209581 InChI Key: DVVAGRMJGUQHLI-OCAPTIKFSA-N Synonym: dimethyl cis-4-cyclohexene-1,2-dicarboxylate,dimethyl cis-1,2,3,6-tetrahydrophthalate,cis-dimethyl cyclohex-4-ene-1,2-dicarboxylate,dimethylcis-4-cyclohexene-1,2-dicarboxylate,1r, 6s-methyl 6-methoxycarbonyl-3-cyclohexenecarboxylate,4-cyclohexene-1alpha,2alpha-dicarboxylic acid dimethyl ester,1,2-dimethyl 1r,2s-cyclohex-4-ene-1,2-dicarboxylate,4-cyclohexene-1,2-dicarboxylicacid, dimethyl ester, 1r,2s-rel PubChem CID: 10867283 IUPAC Name: dimethyl (1R,2S)-cyclohex-4-ene-1,2-dicarboxylate SMILES: COC(=O)C1CC=CCC1C(=O)OC
| PubChem CID | 10867283 |
|---|---|
| CAS | 4841-84-3 |
| Molecular Weight (g/mol) | 198.218 |
| MDL Number | MFCD00209581 |
| SMILES | COC(=O)C1CC=CCC1C(=O)OC |
| Synonym | dimethyl cis-4-cyclohexene-1,2-dicarboxylate,dimethyl cis-1,2,3,6-tetrahydrophthalate,cis-dimethyl cyclohex-4-ene-1,2-dicarboxylate,dimethylcis-4-cyclohexene-1,2-dicarboxylate,1r, 6s-methyl 6-methoxycarbonyl-3-cyclohexenecarboxylate,4-cyclohexene-1alpha,2alpha-dicarboxylic acid dimethyl ester,1,2-dimethyl 1r,2s-cyclohex-4-ene-1,2-dicarboxylate,4-cyclohexene-1,2-dicarboxylicacid, dimethyl ester, 1r,2s-rel |
| IUPAC Name | dimethyl (1R,2S)-cyclohex-4-ene-1,2-dicarboxylate |
| InChI Key | DVVAGRMJGUQHLI-OCAPTIKFSA-N |
| Molecular Formula | C10H14O4 |
Ethyl 2-Butynoate 98.0+%, TCI America™
CAS: 4341-76-8 Molecular Formula: C6H8O2 Molecular Weight (g/mol): 112.128 MDL Number: MFCD00015182 InChI Key: FCJJZKCJURDYNF-UHFFFAOYSA-N Synonym: ethyl 2-butynoate,ethyl tetrolate,2-butynoic acid ethyl ester,but-2-ynoic acid ethyl ester,2-butynoic acid, ethyl ester,tetrolic acid ethyl ester,ethyl-2-butynoate,ethyl 3-methylpropiolate,acmc-1aeo2,ethyl 1-propynecarboxylate PubChem CID: 78043 IUPAC Name: ethyl but-2-ynoate SMILES: CCOC(=O)C#CC
| PubChem CID | 78043 |
|---|---|
| CAS | 4341-76-8 |
| Molecular Weight (g/mol) | 112.128 |
| MDL Number | MFCD00015182 |
| SMILES | CCOC(=O)C#CC |
| Synonym | ethyl 2-butynoate,ethyl tetrolate,2-butynoic acid ethyl ester,but-2-ynoic acid ethyl ester,2-butynoic acid, ethyl ester,tetrolic acid ethyl ester,ethyl-2-butynoate,ethyl 3-methylpropiolate,acmc-1aeo2,ethyl 1-propynecarboxylate |
| IUPAC Name | ethyl but-2-ynoate |
| InChI Key | FCJJZKCJURDYNF-UHFFFAOYSA-N |
| Molecular Formula | C6H8O2 |
Methyl 3-Bromopropionate 99.0+%, TCI America™
CAS: 3395-91-3 Molecular Formula: C4H7BrO2 Molecular Weight (g/mol): 167.00 MDL Number: MFCD00000250 InChI Key: KQEVIFKPZOGBMZ-UHFFFAOYSA-N Synonym: methyl 3-bromopropionate,propanoic acid, 3-bromo-, methyl ester,methyl beta-bromopropionate,3-bromopropionic acid methyl ester,propionic acid, 3-bromo-, methyl ester,3-bromopropanoic acid methyl ester,unii-y803ch1p4w,beta-bromopropionic acid, methyl ester,methyl .beta.-bromopropionate,3-bromo-propionic acid methyl ester PubChem CID: 76934 IUPAC Name: methyl 3-bromopropanoate SMILES: COC(=O)CCBr
| PubChem CID | 76934 |
|---|---|
| CAS | 3395-91-3 |
| Molecular Weight (g/mol) | 167.00 |
| MDL Number | MFCD00000250 |
| SMILES | COC(=O)CCBr |
| Synonym | methyl 3-bromopropionate,propanoic acid, 3-bromo-, methyl ester,methyl beta-bromopropionate,3-bromopropionic acid methyl ester,propionic acid, 3-bromo-, methyl ester,3-bromopropanoic acid methyl ester,unii-y803ch1p4w,beta-bromopropionic acid, methyl ester,methyl .beta.-bromopropionate,3-bromo-propionic acid methyl ester |
| IUPAC Name | methyl 3-bromopropanoate |
| InChI Key | KQEVIFKPZOGBMZ-UHFFFAOYSA-N |
| Molecular Formula | C4H7BrO2 |
Methyl 3-Methoxyisobutyrate 98.0+%, TCI America™
CAS: 3852-11-7 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 MDL Number: MFCD00671553 InChI Key: LYLUAHKXJUQFDG-UHFFFAOYNA-N Synonym: 3-Methoxyisobutyric Acid Methyl Ester, Methyl 3-Methoxy-2-methylpropionate, 3-Methoxy-2-methylpropionic Acid Methyl Ester PubChem CID: 107177 IUPAC Name: methyl 3-methoxy-2-methylpropanoate SMILES: CC(COC)C(=O)OC
| PubChem CID | 107177 |
|---|---|
| CAS | 3852-11-7 |
| Molecular Weight (g/mol) | 132.16 |
| MDL Number | MFCD00671553 |
| SMILES | CC(COC)C(=O)OC |
| Synonym | 3-Methoxyisobutyric Acid Methyl Ester, Methyl 3-Methoxy-2-methylpropionate, 3-Methoxy-2-methylpropionic Acid Methyl Ester |
| IUPAC Name | methyl 3-methoxy-2-methylpropanoate |
| InChI Key | LYLUAHKXJUQFDG-UHFFFAOYNA-N |
| Molecular Formula | C6H12O3 |
Methyl 3,4-Diaminobenzoate 98.0+%, TCI America™
CAS: 36692-49-6 Molecular Formula: C8H10N2O2 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00017098 InChI Key: IOPLHGOSNCJOOO-UHFFFAOYSA-N Synonym: 3,4-diaminobenzoic acid methyl ester,methyl3,4-diaminobenzoate,methyl-3,4-diaminobenzoate,benzoic acid, 3,4-diamino-, methyl ester,3,4-diamino-benzoic acid methyl ester,methyl 3,4-diaminobenzenecarboxylate,pubchem4610,acmc-1bn7s,methyl 3,4-diamino-benzoate,methyl-3,4-diamino-benzoate PubChem CID: 135524 IUPAC Name: methyl 3,4-diaminobenzoate SMILES: COC(=O)C1=CC=C(N)C(N)=C1
| PubChem CID | 135524 |
|---|---|
| CAS | 36692-49-6 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00017098 |
| SMILES | COC(=O)C1=CC=C(N)C(N)=C1 |
| Synonym | 3,4-diaminobenzoic acid methyl ester,methyl3,4-diaminobenzoate,methyl-3,4-diaminobenzoate,benzoic acid, 3,4-diamino-, methyl ester,3,4-diamino-benzoic acid methyl ester,methyl 3,4-diaminobenzenecarboxylate,pubchem4610,acmc-1bn7s,methyl 3,4-diamino-benzoate,methyl-3,4-diamino-benzoate |
| IUPAC Name | methyl 3,4-diaminobenzoate |
| InChI Key | IOPLHGOSNCJOOO-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O2 |
Methyl Chloroglyoxylate 98.0+%, TCI America™
CAS: 5781-53-3 Molecular Formula: C3H3ClO3 Molecular Weight (g/mol): 122.504 MDL Number: MFCD00000705 InChI Key: ZXUQEPZWVQIOJE-UHFFFAOYSA-N Synonym: methyl oxalyl chloride,methyl chloroglyoxylate,methyl chlorooxoacetate,chloroglyoxylic acid methyl ester,acetic acid, chlorooxo-, methyl ester,methyl chlorocarbonyl formate,methyloxalylchloride,methyl chloro oxo acetate,methylchlorooxoacetate,methyl 2-chloro-2-oxo-acetate PubChem CID: 79846 IUPAC Name: methyl 2-chloro-2-oxoacetate SMILES: COC(=O)C(=O)Cl
| PubChem CID | 79846 |
|---|---|
| CAS | 5781-53-3 |
| Molecular Weight (g/mol) | 122.504 |
| MDL Number | MFCD00000705 |
| SMILES | COC(=O)C(=O)Cl |
| Synonym | methyl oxalyl chloride,methyl chloroglyoxylate,methyl chlorooxoacetate,chloroglyoxylic acid methyl ester,acetic acid, chlorooxo-, methyl ester,methyl chlorocarbonyl formate,methyloxalylchloride,methyl chloro oxo acetate,methylchlorooxoacetate,methyl 2-chloro-2-oxo-acetate |
| IUPAC Name | methyl 2-chloro-2-oxoacetate |
| InChI Key | ZXUQEPZWVQIOJE-UHFFFAOYSA-N |
| Molecular Formula | C3H3ClO3 |
Methyl 2,3-Dichloropropionate 95.0+%, TCI America™
CAS: 3674-09-7 Molecular Formula: C4H6Cl2O2 Molecular Weight (g/mol): 156.99 MDL Number: MFCD00000944 InChI Key: OFHMODDLBXETIK-UHFFFAOYNA-N Synonym: methyl 2,3-dichloropropionate,propanoic acid, 2,3-dichloro-, methyl ester,2,3-dichloropropionic acid methyl ester,methyl-2,3-dichloropropionate,methyl alpha,beta-dichloropropionate,methyl .alpha.,.beta.-dichloropropionate,propionic acid, 2,3-dichloro-, methyl ester,propanoic acid,3-dichloro-, methyl ester,propionic acid,3-dichloro-, methyl ester,methyl-2,3-dichloropropioate PubChem CID: 95429 IUPAC Name: methyl 2,3-dichloropropanoate SMILES: COC(=O)C(CCl)Cl
| PubChem CID | 95429 |
|---|---|
| CAS | 3674-09-7 |
| Molecular Weight (g/mol) | 156.99 |
| MDL Number | MFCD00000944 |
| SMILES | COC(=O)C(CCl)Cl |
| Synonym | methyl 2,3-dichloropropionate,propanoic acid, 2,3-dichloro-, methyl ester,2,3-dichloropropionic acid methyl ester,methyl-2,3-dichloropropionate,methyl alpha,beta-dichloropropionate,methyl .alpha.,.beta.-dichloropropionate,propionic acid, 2,3-dichloro-, methyl ester,propanoic acid,3-dichloro-, methyl ester,propionic acid,3-dichloro-, methyl ester,methyl-2,3-dichloropropioate |
| IUPAC Name | methyl 2,3-dichloropropanoate |
| InChI Key | OFHMODDLBXETIK-UHFFFAOYNA-N |
| Molecular Formula | C4H6Cl2O2 |
Sultamicillin Tosylate Dihydrate 98.0+%, TCI America™
CAS: 83105-70-8 Molecular Formula: C32H42N4O14S3 Molecular Weight (g/mol): 802.882 MDL Number: MFCD01682151 InChI Key: KNVDAMRBJYZXRW-ZLNTYAKYSA-N Synonym: Sultamicillin Tosilate PubChem CID: 71775005 IUPAC Name: [(5R)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxymethyl (2S,5R,6R)-6-[[(2S)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;4-methylbenzenesulfonic acid;dihydrate SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)OCOC(=O)C4C(S(=O)(=O)C5N4C(=O)C5)(C)C)C.O.O
| PubChem CID | 71775005 |
|---|---|
| CAS | 83105-70-8 |
| Molecular Weight (g/mol) | 802.882 |
| MDL Number | MFCD01682151 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)OCOC(=O)C4C(S(=O)(=O)C5N4C(=O)C5)(C)C)C.O.O |
| Synonym | Sultamicillin Tosilate |
| IUPAC Name | [(5R)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxymethyl (2S,5R,6R)-6-[[(2S)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;4-methylbenzenesulfonic acid;dihydrate |
| InChI Key | KNVDAMRBJYZXRW-ZLNTYAKYSA-N |
| Molecular Formula | C32H42N4O14S3 |
Ethyl 4-[(4-Methoxybenzylidene)amino]cinnamate 98.0+%, TCI America™
CAS: 6421-30-3 Molecular Formula: C19H19NO3 Molecular Weight (g/mol): 309.365 MDL Number: MFCD00059231 InChI Key: FMNNRRPDXZWUAE-KGCZTCBMSA-N Synonym: 4-(p-Anisalamino)cinnamic Acid Ethyl Ester, 4-[(p-Anisylidene)amino]cinnamic Acid Ethyl Ester, Ethyl 4-(p-Anisalamino)cinnamate, Ethyl 4-[(p-Anisylidene)amino]cinnamate, 4-[(4-Methoxybenzylidene)amino]cinnamic Acid Ethyl Ester PubChem CID: 780892 IUPAC Name: ethyl (E)-3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate SMILES: CCOC(=O)C=CC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OC
| PubChem CID | 780892 |
|---|---|
| CAS | 6421-30-3 |
| Molecular Weight (g/mol) | 309.365 |
| MDL Number | MFCD00059231 |
| SMILES | CCOC(=O)C=CC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OC |
| Synonym | 4-(p-Anisalamino)cinnamic Acid Ethyl Ester, 4-[(p-Anisylidene)amino]cinnamic Acid Ethyl Ester, Ethyl 4-(p-Anisalamino)cinnamate, Ethyl 4-[(p-Anisylidene)amino]cinnamate, 4-[(4-Methoxybenzylidene)amino]cinnamic Acid Ethyl Ester |
| IUPAC Name | ethyl (E)-3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate |
| InChI Key | FMNNRRPDXZWUAE-KGCZTCBMSA-N |
| Molecular Formula | C19H19NO3 |
Methyl 1-Naphthoate 98.0+%, TCI America™
CAS: 2459-24-7 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00094243 InChI Key: HMRROBKAACRWBP-UHFFFAOYSA-N Synonym: Methyl 1-Naphthalenecarboxylate, 1-Naphthoic Acid Methyl Ester, 1-Naphthalenecarboxylic Acid Methyl Ester PubChem CID: 120056 IUPAC Name: methyl naphthalene-1-carboxylate SMILES: COC(=O)C1=CC=CC2=CC=CC=C21
| PubChem CID | 120056 |
|---|---|
| CAS | 2459-24-7 |
| Molecular Weight (g/mol) | 186.21 |
| MDL Number | MFCD00094243 |
| SMILES | COC(=O)C1=CC=CC2=CC=CC=C21 |
| Synonym | Methyl 1-Naphthalenecarboxylate, 1-Naphthoic Acid Methyl Ester, 1-Naphthalenecarboxylic Acid Methyl Ester |
| IUPAC Name | methyl naphthalene-1-carboxylate |
| InChI Key | HMRROBKAACRWBP-UHFFFAOYSA-N |
| Molecular Formula | C12H10O2 |
4-Pentylcyclohexanecarboxylic Acid (cis- and trans- mixture) 98.0+%, TCI America™
CAS: 38792-89-1 Molecular Formula: C12H22O2 Molecular Weight (g/mol): 198.306 MDL Number: MFCD00466238 InChI Key: RVLAXPQGTRTHEV-UHFFFAOYSA-N Synonym: 4-Amylcyclohexanecarboxylic Acid PubChem CID: 98882 IUPAC Name: 4-pentylcyclohexane-1-carboxylic acid SMILES: CCCCCC1CCC(CC1)C(=O)O
| PubChem CID | 98882 |
|---|---|
| CAS | 38792-89-1 |
| Molecular Weight (g/mol) | 198.306 |
| MDL Number | MFCD00466238 |
| SMILES | CCCCCC1CCC(CC1)C(=O)O |
| Synonym | 4-Amylcyclohexanecarboxylic Acid |
| IUPAC Name | 4-pentylcyclohexane-1-carboxylic acid |
| InChI Key | RVLAXPQGTRTHEV-UHFFFAOYSA-N |
| Molecular Formula | C12H22O2 |
Diisopropyl Fumarate 98.0+%, TCI America™
CAS: 7283-70-7 Molecular Formula: C10H16O4 Molecular Weight (g/mol): 200.23 MDL Number: MFCD00545172 InChI Key: FNMTVMWFISHPEV-AATRIKPKSA-N Synonym: Fumaric Acid Diisopropyl Ester PubChem CID: 5357078 IUPAC Name: 1,4-bis(propan-2-yl) (2E)-but-2-enedioate SMILES: CC(C)OC(=O)\C=C\C(=O)OC(C)C
| PubChem CID | 5357078 |
|---|---|
| CAS | 7283-70-7 |
| Molecular Weight (g/mol) | 200.23 |
| MDL Number | MFCD00545172 |
| SMILES | CC(C)OC(=O)\C=C\C(=O)OC(C)C |
| Synonym | Fumaric Acid Diisopropyl Ester |
| IUPAC Name | 1,4-bis(propan-2-yl) (2E)-but-2-enedioate |
| InChI Key | FNMTVMWFISHPEV-AATRIKPKSA-N |
| Molecular Formula | C10H16O4 |