Carboxylic acids and derivatives
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Vinyl decanoate, 95%, stab.
CAS: 4704-31-8 Molecular Formula: C12H22O2 Molecular Weight (g/mol): 198.306 MDL Number: MFCD00027349 InChI Key: CMDXMIHZUJPRHG-UHFFFAOYSA-N Synonym: vinyl decanoate,decanoic acid, vinyl ester,vinyl n-decanoate,unii-ff00i399li,decanoic acid, ethenyl ester,n-capric acid vinyl ester,decanoic acid vinyl,acmc-1aqz4,decanoic acid vinyl ester,capric acid vinyl ester = vinyl decenoate PubChem CID: 62140 IUPAC Name: ethenyl decanoate SMILES: CCCCCCCCCC(=O)OC=C
| PubChem CID | 62140 |
|---|---|
| CAS | 4704-31-8 |
| Molecular Weight (g/mol) | 198.306 |
| MDL Number | MFCD00027349 |
| SMILES | CCCCCCCCCC(=O)OC=C |
| Synonym | vinyl decanoate,decanoic acid, vinyl ester,vinyl n-decanoate,unii-ff00i399li,decanoic acid, ethenyl ester,n-capric acid vinyl ester,decanoic acid vinyl,acmc-1aqz4,decanoic acid vinyl ester,capric acid vinyl ester = vinyl decenoate |
| IUPAC Name | ethenyl decanoate |
| InChI Key | CMDXMIHZUJPRHG-UHFFFAOYSA-N |
| Molecular Formula | C12H22O2 |
Methyl tiglate, 98%
CAS: 6622-76-0 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00016654 InChI Key: YYJWBYNQJLBIGS-PLNGDYQASA-N Synonym: methyl tiglate,tiglic acid methyl ester,methyl 2-methylbut-2-enoate,methyl 2-methyl-2-butenoate,methyl e-2-methylcrotonate,methyl 2-methylcrotonate,methyl alpha-methylcrotonate,methyl trans-2-methylcrotonate,2-butenoic acid, 2-methyl-, methyl ester, e,crotonic acid, 2-methyl-, methyl ester, e PubChem CID: 5323652 IUPAC Name: methyl (E)-2-methylbut-2-enoate SMILES: COC(=O)C(\C)=C/C
| PubChem CID | 5323652 |
|---|---|
| CAS | 6622-76-0 |
| Molecular Weight (g/mol) | 114.14 |
| MDL Number | MFCD00016654 |
| SMILES | COC(=O)C(\C)=C/C |
| Synonym | methyl tiglate,tiglic acid methyl ester,methyl 2-methylbut-2-enoate,methyl 2-methyl-2-butenoate,methyl e-2-methylcrotonate,methyl 2-methylcrotonate,methyl alpha-methylcrotonate,methyl trans-2-methylcrotonate,2-butenoic acid, 2-methyl-, methyl ester, e,crotonic acid, 2-methyl-, methyl ester, e |
| IUPAC Name | methyl (E)-2-methylbut-2-enoate |
| InChI Key | YYJWBYNQJLBIGS-PLNGDYQASA-N |
| Molecular Formula | C6H10O2 |
Methyl 3-aminobenzoate, 98%
CAS: 4518-10-9 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.16 MDL Number: MFCD00017102 InChI Key: VZDNXXPBYLGWOS-UHFFFAOYSA-N
| CAS | 4518-10-9 |
|---|---|
| Molecular Weight (g/mol) | 151.16 |
| MDL Number | MFCD00017102 |
| InChI Key | VZDNXXPBYLGWOS-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
Diethyl acetylenedicarboxylate, 96%
CAS: 762-21-0 Molecular Formula: C8H10O4 Molecular Weight (g/mol): 170.164 MDL Number: MFCD00009186 InChI Key: STRNXFOUBFLVIN-UHFFFAOYSA-N Synonym: diethyl acetylenedicarboxylate,2-butynedioic acid, diethyl ester,diethyl 2-butynedioate,1,4-diethyl but-2-ynedioate,acetylenedicarboxylic acid, diethyl ester,acetylenedicarboxylic acid diethyl ester,diethylacetylenedicarboxylate,bis-ethoxycarbonyl acetylene,diethyl acetylene dicarboxylate,di-ethyl acetylenedicarboxylate PubChem CID: 69803 IUPAC Name: diethyl but-2-ynedioate SMILES: CCOC(=O)C#CC(=O)OCC
| PubChem CID | 69803 |
|---|---|
| CAS | 762-21-0 |
| Molecular Weight (g/mol) | 170.164 |
| MDL Number | MFCD00009186 |
| SMILES | CCOC(=O)C#CC(=O)OCC |
| Synonym | diethyl acetylenedicarboxylate,2-butynedioic acid, diethyl ester,diethyl 2-butynedioate,1,4-diethyl but-2-ynedioate,acetylenedicarboxylic acid, diethyl ester,acetylenedicarboxylic acid diethyl ester,diethylacetylenedicarboxylate,bis-ethoxycarbonyl acetylene,diethyl acetylene dicarboxylate,di-ethyl acetylenedicarboxylate |
| IUPAC Name | diethyl but-2-ynedioate |
| InChI Key | STRNXFOUBFLVIN-UHFFFAOYSA-N |
| Molecular Formula | C8H10O4 |
tert-Butyl propiolate, 98%
CAS: 13831-03-3 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.16 MDL Number: MFCD00060100 InChI Key: XGTPDIIFEPTULX-UHFFFAOYSA-N Synonym: tert-butyl propiolate,propiolic acid tert-butyl ester,t-butyl propiolate,2-propynoic acid, 1,1-dimethylethyl ester,boc-acetylene,tert-butyl propalate,tert-butyl propargylate,acmc-209chj,tert-butyl propiolate # PubChem CID: 543038 IUPAC Name: tert-butyl prop-2-ynoate SMILES: CC(C)(C)OC(=O)C#C
| PubChem CID | 543038 |
|---|---|
| CAS | 13831-03-3 |
| Molecular Weight (g/mol) | 126.16 |
| MDL Number | MFCD00060100 |
| SMILES | CC(C)(C)OC(=O)C#C |
| Synonym | tert-butyl propiolate,propiolic acid tert-butyl ester,t-butyl propiolate,2-propynoic acid, 1,1-dimethylethyl ester,boc-acetylene,tert-butyl propalate,tert-butyl propargylate,acmc-209chj,tert-butyl propiolate # |
| IUPAC Name | tert-butyl prop-2-ynoate |
| InChI Key | XGTPDIIFEPTULX-UHFFFAOYSA-N |
| Molecular Formula | C7H10O2 |
5,6-Dihydro-2H-pyran-2-one, 90%
CAS: 3393-45-1 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.10 MDL Number: MFCD00010439 InChI Key: VREFDQNWPNDZEX-UHFFFAOYSA-N Synonym: 5,6-dihydro-2h-pyran-2-one,2h-pyran-2-one, 5,6-dihydro,5,6-dihydropyran-2-one,5,6-dihydro-pyran-2-one,chembl55078,5,6-dihydro-2-pyranone,acmc-1ck70,2-pentenoic acid, 5-hydroxy-, .delta.-lactone,5,6-dihydro-2h-pyran-2-one, technical grade PubChem CID: 520660 SMILES: O=C1CC=CCO1
| PubChem CID | 520660 |
|---|---|
| CAS | 3393-45-1 |
| Molecular Weight (g/mol) | 98.10 |
| MDL Number | MFCD00010439 |
| SMILES | O=C1CC=CCO1 |
| Synonym | 5,6-dihydro-2h-pyran-2-one,2h-pyran-2-one, 5,6-dihydro,5,6-dihydropyran-2-one,5,6-dihydro-pyran-2-one,chembl55078,5,6-dihydro-2-pyranone,acmc-1ck70,2-pentenoic acid, 5-hydroxy-, .delta.-lactone,5,6-dihydro-2h-pyran-2-one, technical grade |
| InChI Key | VREFDQNWPNDZEX-UHFFFAOYSA-N |
| Molecular Formula | C5H6O2 |
Methyl 4-aminobenzoate, 98%
CAS: 619-45-4 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00007891 InChI Key: LZXXNPOYQCLXRS-UHFFFAOYSA-N Synonym: 4-aminobenzoic acid methyl ester,methyl p-aminobenzoate,benzoic acid, 4-amino-, methyl ester,p-methoxycarbonyl aniline,4-methoxycarbonyl aniline,p-aminobenzoic acid methyl ester,methyl aniline-4-carboxylate,4-carbomethoxyaniline,methyl4-aminobenzoate,benzoic acid, p-amino-, methyl ester PubChem CID: 12082 IUPAC Name: methyl 4-aminobenzoate SMILES: COC(=O)C1=CC=C(C=C1)N
| PubChem CID | 12082 |
|---|---|
| CAS | 619-45-4 |
| Molecular Weight (g/mol) | 151.17 |
| MDL Number | MFCD00007891 |
| SMILES | COC(=O)C1=CC=C(C=C1)N |
| Synonym | 4-aminobenzoic acid methyl ester,methyl p-aminobenzoate,benzoic acid, 4-amino-, methyl ester,p-methoxycarbonyl aniline,4-methoxycarbonyl aniline,p-aminobenzoic acid methyl ester,methyl aniline-4-carboxylate,4-carbomethoxyaniline,methyl4-aminobenzoate,benzoic acid, p-amino-, methyl ester |
| IUPAC Name | methyl 4-aminobenzoate |
| InChI Key | LZXXNPOYQCLXRS-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
Methyl 2-methoxybenzoate, 98+%
CAS: 606-45-1 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00008423 InChI Key: PFYHAAAQPNMZHO-UHFFFAOYSA-N Synonym: methyl o-anisate,dimethyl salicylate,o-anisic acid, methyl ester,methyl o-methoxybenzoate,o-methoxy methyl benzoate,o-methoxybenzoic acid methyl ester,methylsalicylate methyl ether,2-methoxybenzoic acid methyl ester,benzoic acid, 2-methoxy-, methyl ester,2-methoxybenzoic acid, methyl ester PubChem CID: 61151 IUPAC Name: methyl 2-methoxybenzoate SMILES: COC1=CC=CC=C1C(=O)OC
| PubChem CID | 61151 |
|---|---|
| CAS | 606-45-1 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00008423 |
| SMILES | COC1=CC=CC=C1C(=O)OC |
| Synonym | methyl o-anisate,dimethyl salicylate,o-anisic acid, methyl ester,methyl o-methoxybenzoate,o-methoxy methyl benzoate,o-methoxybenzoic acid methyl ester,methylsalicylate methyl ether,2-methoxybenzoic acid methyl ester,benzoic acid, 2-methoxy-, methyl ester,2-methoxybenzoic acid, methyl ester |
| IUPAC Name | methyl 2-methoxybenzoate |
| InChI Key | PFYHAAAQPNMZHO-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
Methyl 3-bromopropionate, 97%
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 methylsulfonylacetate, 98+%
CAS: 62020-09-1 Molecular Formula: C4H8O4S Molecular Weight (g/mol): 152.16 MDL Number: MFCD00051842 InChI Key: RQKDASVRZONLNQ-UHFFFAOYSA-N Synonym: methyl methanesulfonylacetate,methyl 2-methanesulfonylacetate,methyl 2-methylsulfonyl acetate,methyl methylsulfonylacetate,methanesulfonylacetic acid methyl ester,acmc-1b4fd,methyl methylsulfonyl acetate,2-methylsulfonyl-1-methoxyethanone,methylsulfonylacetic acid methyl ester,methanesulfonyl acetic acid methyl ester PubChem CID: 2759918 SMILES: COC(=O)CS(C)(=O)=O
| PubChem CID | 2759918 |
|---|---|
| CAS | 62020-09-1 |
| Molecular Weight (g/mol) | 152.16 |
| MDL Number | MFCD00051842 |
| SMILES | COC(=O)CS(C)(=O)=O |
| Synonym | methyl methanesulfonylacetate,methyl 2-methanesulfonylacetate,methyl 2-methylsulfonyl acetate,methyl methylsulfonylacetate,methanesulfonylacetic acid methyl ester,acmc-1b4fd,methyl methylsulfonyl acetate,2-methylsulfonyl-1-methoxyethanone,methylsulfonylacetic acid methyl ester,methanesulfonyl acetic acid methyl ester |
| InChI Key | RQKDASVRZONLNQ-UHFFFAOYSA-N |
| Molecular Formula | C4H8O4S |
Methyl isobutyrate, 98%
CAS: 547-63-7 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00008914 InChI Key: BHIWKHZACMWKOJ-UHFFFAOYSA-N Synonym: methyl isobutyrate,methyl 2-methylpropionate,methyl isobutanoate,propanoic acid, 2-methyl-, methyl ester,isobutyric acid, methyl ester,methylisobutyrate,isobutyric acid methyl ester,poly d-lactide,methyl isobutyrate natural,methylester kyseliny isomaselne PubChem CID: 11039 ChEBI: CHEBI:73689 IUPAC Name: methyl 2-methylpropanoate SMILES: CC(C)C(=O)OC
| PubChem CID | 11039 |
|---|---|
| CAS | 547-63-7 |
| Molecular Weight (g/mol) | 102.133 |
| ChEBI | CHEBI:73689 |
| MDL Number | MFCD00008914 |
| SMILES | CC(C)C(=O)OC |
| Synonym | methyl isobutyrate,methyl 2-methylpropionate,methyl isobutanoate,propanoic acid, 2-methyl-, methyl ester,isobutyric acid, methyl ester,methylisobutyrate,isobutyric acid methyl ester,poly d-lactide,methyl isobutyrate natural,methylester kyseliny isomaselne |
| IUPAC Name | methyl 2-methylpropanoate |
| InChI Key | BHIWKHZACMWKOJ-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
Methyl 4-bromocrotonate, tech. 85%
CAS: 1117-71-1 Molecular Formula: C5H7BrO2 Molecular Weight (g/mol): 179.01 MDL Number: MFCD00000246,MFCD09998308 InChI Key: RWIKCBHOVNDESJ-NSCUHMNNSA-N Synonym: methyl 4-bromocrotonate,e-methyl 4-bromobut-2-enoate,4-bromocrotonic acid methyl ester,methyl gamma-bromocrotonate,methyl bromocrotonate,methyl 4-bromo-2-butenoate,2-butenoic acid, 4-bromo-, methyl ester,methyl 4-bromobut-2-enoate,methyl 2e-4-bromobut-2-enoate,crotonic acid, 4-bromo-, methyl ester PubChem CID: 5369175 IUPAC Name: methyl (E)-4-bromobut-2-enoate SMILES: COC(=O)\C=C\CBr
| PubChem CID | 5369175 |
|---|---|
| CAS | 1117-71-1 |
| Molecular Weight (g/mol) | 179.01 |
| MDL Number | MFCD00000246,MFCD09998308 |
| SMILES | COC(=O)\C=C\CBr |
| Synonym | methyl 4-bromocrotonate,e-methyl 4-bromobut-2-enoate,4-bromocrotonic acid methyl ester,methyl gamma-bromocrotonate,methyl bromocrotonate,methyl 4-bromo-2-butenoate,2-butenoic acid, 4-bromo-, methyl ester,methyl 4-bromobut-2-enoate,methyl 2e-4-bromobut-2-enoate,crotonic acid, 4-bromo-, methyl ester |
| IUPAC Name | methyl (E)-4-bromobut-2-enoate |
| InChI Key | RWIKCBHOVNDESJ-NSCUHMNNSA-N |
| Molecular Formula | C5H7BrO2 |
Methyl 4-bromocrotonate, 85%, tech.
CAS: 1117-71-1 Molecular Formula: C5H7BrO2 Molecular Weight (g/mol): 179.01 MDL Number: MFCD00000246,MFCD09998308 InChI Key: RWIKCBHOVNDESJ-NSCUHMNNSA-N Synonym: methyl 4-bromocrotonate,e-methyl 4-bromobut-2-enoate,4-bromocrotonic acid methyl ester,methyl gamma-bromocrotonate,methyl bromocrotonate,methyl 4-bromo-2-butenoate,2-butenoic acid, 4-bromo-, methyl ester,methyl 4-bromobut-2-enoate,methyl 2e-4-bromobut-2-enoate,crotonic acid, 4-bromo-, methyl ester PubChem CID: 5369175 SMILES: COC(=O)\C=C\CBr
| PubChem CID | 5369175 |
|---|---|
| CAS | 1117-71-1 |
| Molecular Weight (g/mol) | 179.01 |
| MDL Number | MFCD00000246,MFCD09998308 |
| SMILES | COC(=O)\C=C\CBr |
| Synonym | methyl 4-bromocrotonate,e-methyl 4-bromobut-2-enoate,4-bromocrotonic acid methyl ester,methyl gamma-bromocrotonate,methyl bromocrotonate,methyl 4-bromo-2-butenoate,2-butenoic acid, 4-bromo-, methyl ester,methyl 4-bromobut-2-enoate,methyl 2e-4-bromobut-2-enoate,crotonic acid, 4-bromo-, methyl ester |
| InChI Key | RWIKCBHOVNDESJ-NSCUHMNNSA-N |
| Molecular Formula | C5H7BrO2 |
Dehydroacetic acid, 98%
CAS: 520-45-6 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00066709 InChI Key: PGRHXDWITVMQBC-UHFFFAOYSA-N Synonym: dehydroacetic acid,3-acetyl-6-methyl-2h-pyran-2,4 3h-dione,methylacetopyronone,dehydracetic acid,biocide 470f,acetic acid, dehydro,3-acetyl-6-methyl-2,4-pyrandione,2h-pyran-2,4 3h-dione, 3-acetyl-6-methyl,3-acetyl-6-methyl-pyran-2,4-dione,3-acetyl-6-methyldihydropyrandione-2,4 PubChem CID: 122903 IUPAC Name: 3-acetyl-6-methylpyran-2,4-dione SMILES: CC1=CC(=O)C(C(=O)O1)C(=O)C
| PubChem CID | 122903 |
|---|---|
| CAS | 520-45-6 |
| Molecular Weight (g/mol) | 168.15 |
| MDL Number | MFCD00066709 |
| SMILES | CC1=CC(=O)C(C(=O)O1)C(=O)C |
| Synonym | dehydroacetic acid,3-acetyl-6-methyl-2h-pyran-2,4 3h-dione,methylacetopyronone,dehydracetic acid,biocide 470f,acetic acid, dehydro,3-acetyl-6-methyl-2,4-pyrandione,2h-pyran-2,4 3h-dione, 3-acetyl-6-methyl,3-acetyl-6-methyl-pyran-2,4-dione,3-acetyl-6-methyldihydropyrandione-2,4 |
| IUPAC Name | 3-acetyl-6-methylpyran-2,4-dione |
| InChI Key | PGRHXDWITVMQBC-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
methyl 4-amino-1-methyl-1H-pyrrole-2-carboxylate hydrochloride, Thermo Scientific™
CAS: 180258-45-1 Molecular Formula: C7H11ClN2O2 Molecular Weight (g/mol): 190.63 MDL Number: MFCD01318761 InChI Key: HEOKCJUUKIPIMM-UHFFFAOYSA-N Synonym: methyl 4-amino-1-methyl-1h-pyrrole-2-carboxylate hydrochloride,methyl 4-amino-1-methylpyrrole-2-carboxylate hydrochloride,methyl-4-amino-1-methyl pyrrole-2-carboxylate hydrochloride,4-amino-1-methyl-1h-pyrrole-2-carboxylic acid-methyl ester hcl,4-amino-1-methylpyrrole-2-carboxylic acid methyl ester hydrochloride,h-nh 4-mepyl-2-ome hcl,methyl 4-amino-1-methyl-pyrrole-2-carboxylate hydrochloride,methyl-4-amino-1-methyl pyrrole-2-carboxylate, hcl,n-methyl-2-carbomethoxy-4-aminopyrrole hydrochloride,3-amino-1-methyl-5-methyloxycarbonylpyrrol hydrochloride PubChem CID: 2794656 SMILES: Cl.COC(=O)C1=CC(N)=CN1C
| PubChem CID | 2794656 |
|---|---|
| CAS | 180258-45-1 |
| Molecular Weight (g/mol) | 190.63 |
| MDL Number | MFCD01318761 |
| SMILES | Cl.COC(=O)C1=CC(N)=CN1C |
| Synonym | methyl 4-amino-1-methyl-1h-pyrrole-2-carboxylate hydrochloride,methyl 4-amino-1-methylpyrrole-2-carboxylate hydrochloride,methyl-4-amino-1-methyl pyrrole-2-carboxylate hydrochloride,4-amino-1-methyl-1h-pyrrole-2-carboxylic acid-methyl ester hcl,4-amino-1-methylpyrrole-2-carboxylic acid methyl ester hydrochloride,h-nh 4-mepyl-2-ome hcl,methyl 4-amino-1-methyl-pyrrole-2-carboxylate hydrochloride,methyl-4-amino-1-methyl pyrrole-2-carboxylate, hcl,n-methyl-2-carbomethoxy-4-aminopyrrole hydrochloride,3-amino-1-methyl-5-methyloxycarbonylpyrrol hydrochloride |
| InChI Key | HEOKCJUUKIPIMM-UHFFFAOYSA-N |
| Molecular Formula | C7H11ClN2O2 |