Organic acids and derivatives
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2-Chloro-2',6'-dimethylacetanilide, 99%
CAS: 1131-01-7 Molecular Formula: C10H12ClNO Molecular Weight (g/mol): 197.662 MDL Number: MFCD00000926 InChI Key: FPQQSNUTBWFFLB-UHFFFAOYSA-N Synonym: 2-chloro-n-2,6-dimethylphenyl acetamide,2-chloro-2',6'-dimethylacetanilide,n-chloroacetyl-2,6-dimethylaniline,2-chloro-2',6'-acetoxylidide,chloroaceto-2,6-xylidide,acetamide, 2-chloro-n-2,6-dimethylphenyl,chloroacetamido-2,6-xylidine,1-chloroacetylamino-2,6-dimethylbenzene,n-2,6-dimethylphenyl-2-chloroacetamide,unii-5d2b69oapx PubChem CID: 70798 IUPAC Name: 2-chloro-N-(2,6-dimethylphenyl)acetamide SMILES: CC1=C(C(=CC=C1)C)NC(=O)CCl
| PubChem CID | 70798 |
|---|---|
| CAS | 1131-01-7 |
| Molecular Weight (g/mol) | 197.662 |
| MDL Number | MFCD00000926 |
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)CCl |
| Synonym | 2-chloro-n-2,6-dimethylphenyl acetamide,2-chloro-2',6'-dimethylacetanilide,n-chloroacetyl-2,6-dimethylaniline,2-chloro-2',6'-acetoxylidide,chloroaceto-2,6-xylidide,acetamide, 2-chloro-n-2,6-dimethylphenyl,chloroacetamido-2,6-xylidine,1-chloroacetylamino-2,6-dimethylbenzene,n-2,6-dimethylphenyl-2-chloroacetamide,unii-5d2b69oapx |
| IUPAC Name | 2-chloro-N-(2,6-dimethylphenyl)acetamide |
| InChI Key | FPQQSNUTBWFFLB-UHFFFAOYSA-N |
| Molecular Formula | C10H12ClNO |
Ethyl carbamate, 98%
CAS: 51-79-6 Molecular Formula: C3H7NO2 Molecular Weight (g/mol): 89.094 MDL Number: MFCD00007966 InChI Key: JOYRKODLDBILNP-UHFFFAOYSA-N Synonym: urethane,urethan,ethylurethane,carbamic acid ethyl ester,ethyl urethane,carbamic acid, ethyl ester,ethylcarbamate,pracarbamine,leucethane,pracarbamin PubChem CID: 5641 ChEBI: CHEBI:17967 IUPAC Name: ethyl carbamate SMILES: CCOC(=O)N
| PubChem CID | 5641 |
|---|---|
| CAS | 51-79-6 |
| Molecular Weight (g/mol) | 89.094 |
| ChEBI | CHEBI:17967 |
| MDL Number | MFCD00007966 |
| SMILES | CCOC(=O)N |
| Synonym | urethane,urethan,ethylurethane,carbamic acid ethyl ester,ethyl urethane,carbamic acid, ethyl ester,ethylcarbamate,pracarbamine,leucethane,pracarbamin |
| IUPAC Name | ethyl carbamate |
| InChI Key | JOYRKODLDBILNP-UHFFFAOYSA-N |
| Molecular Formula | C3H7NO2 |
Methyle3,4-diaminobenzoate, 97%, Thermo Scientific™
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 |
Cyclopentanecarboxylic acid, 99%
CAS: 3400-45-1 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD00001371 InChI Key: JBDSSBMEKXHSJF-UHFFFAOYSA-N Synonym: cyclopentane carboxylic acid,cyclopentylcarboxylic acid,cyclopentancarboxylic acid,cyclopentanoic acid,unii-z6691vh94a,cyclopentylmethanoic acid,pubchem14153,carboxycyclopentane,cyclopentyl carboxylic acid,acmc-209i4g PubChem CID: 18840 IUPAC Name: cyclopentanecarboxylic acid SMILES: C1CCC(C1)C(=O)O
| PubChem CID | 18840 |
|---|---|
| CAS | 3400-45-1 |
| Molecular Weight (g/mol) | 114.144 |
| MDL Number | MFCD00001371 |
| SMILES | C1CCC(C1)C(=O)O |
| Synonym | cyclopentane carboxylic acid,cyclopentylcarboxylic acid,cyclopentancarboxylic acid,cyclopentanoic acid,unii-z6691vh94a,cyclopentylmethanoic acid,pubchem14153,carboxycyclopentane,cyclopentyl carboxylic acid,acmc-209i4g |
| IUPAC Name | cyclopentanecarboxylic acid |
| InChI Key | JBDSSBMEKXHSJF-UHFFFAOYSA-N |
| Molecular Formula | C6H10O2 |
p-Tolylacetic acid, 99%
CAS: 622-47-9 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00004353 InChI Key: GXXXUZIRGXYDFP-UHFFFAOYSA-N Synonym: p-tolylacetic acid,4-methylphenylacetic acid,2-p-tolyl acetic acid,2-4-methylphenyl acetic acid,p-methylphenylacetic acid,4-tolylacetic acid,4-methylphenyl acetic acid,benzeneacetic acid, 4-methyl,acetic acid, p-tolyl,2-p-tolylacetic acid PubChem CID: 248474 IUPAC Name: 2-(4-methylphenyl)acetic acid SMILES: CC1=CC=C(C=C1)CC(=O)O
| PubChem CID | 248474 |
|---|---|
| CAS | 622-47-9 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD00004353 |
| SMILES | CC1=CC=C(C=C1)CC(=O)O |
| Synonym | p-tolylacetic acid,4-methylphenylacetic acid,2-p-tolyl acetic acid,2-4-methylphenyl acetic acid,p-methylphenylacetic acid,4-tolylacetic acid,4-methylphenyl acetic acid,benzeneacetic acid, 4-methyl,acetic acid, p-tolyl,2-p-tolylacetic acid |
| IUPAC Name | 2-(4-methylphenyl)acetic acid |
| InChI Key | GXXXUZIRGXYDFP-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
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 |
n-Propyl bromoacetate, 97%
CAS: 35223-80-4 Molecular Formula: C5H9BrO2 Molecular Weight (g/mol): 181.03 MDL Number: MFCD00075247 InChI Key: ISYUCUGTDNJIHV-UHFFFAOYSA-N Synonym: propyl bromoacetate,n-propyl bromoacetate,acetic acid, bromo-, propyl ester,acmc-1ajeq,bromoacetic acid propyl ester,bromo-acetic acid propyl ester,acetic acid, 2-bromo-,propyl ester PubChem CID: 141981 IUPAC Name: propyl 2-bromoacetate SMILES: CCCOC(=O)CBr
| PubChem CID | 141981 |
|---|---|
| CAS | 35223-80-4 |
| Molecular Weight (g/mol) | 181.03 |
| MDL Number | MFCD00075247 |
| SMILES | CCCOC(=O)CBr |
| Synonym | propyl bromoacetate,n-propyl bromoacetate,acetic acid, bromo-, propyl ester,acmc-1ajeq,bromoacetic acid propyl ester,bromo-acetic acid propyl ester,acetic acid, 2-bromo-,propyl ester |
| IUPAC Name | propyl 2-bromoacetate |
| InChI Key | ISYUCUGTDNJIHV-UHFFFAOYSA-N |
| Molecular Formula | C5H9BrO2 |
Isopropyl Myristate, B&J Brand™, for sterility testing of ophthalmic ointments, Honeywell Burdick & Jackson
CAS: 110-27-0 Molecular Formula: C17H34O2 Molecular Weight (g/mol): 270.457 InChI Key: AXISYYRBXTVTFY-UHFFFAOYSA-N Synonym: isopropyl myristate,isopropyl tetradecanoate,estergel,bisomel,isomyst,promyr,tetradecanoic acid, 1-methylethyl ester,deltyl extra,kesscomir,tegester PubChem CID: 8042 IUPAC Name: propan-2-yl tetradecanoate SMILES: CCCCCCCCCCCCCC(=O)OC(C)C
| PubChem CID | 8042 |
|---|---|
| CAS | 110-27-0 |
| Molecular Weight (g/mol) | 270.457 |
| SMILES | CCCCCCCCCCCCCC(=O)OC(C)C |
| Synonym | isopropyl myristate,isopropyl tetradecanoate,estergel,bisomel,isomyst,promyr,tetradecanoic acid, 1-methylethyl ester,deltyl extra,kesscomir,tegester |
| IUPAC Name | propan-2-yl tetradecanoate |
| InChI Key | AXISYYRBXTVTFY-UHFFFAOYSA-N |
| Molecular Formula | C17H34O2 |
trans-3-(4-Pyridyl)acrylic acid, 97%
CAS: 84228-93-3 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.149 MDL Number: MFCD00040746 InChI Key: SSAYTINUCCRGDR-OWOJBTEDSA-N Synonym: 3-4-pyridyl acrylic acid,trans-3-4-pyridyl acrylic acid,3-pyridin-4-yl-acrylic acid,4-pyridineacrylic acid,e-3-pyridin-4-yl acrylic acid,3-pyridin-4-yl acrylic acid,2e-3-pyridin-4-ylacrylic acid,3-4-pyridine acrylic acid,2e-3-pyridin-4-yl prop-2-enoic acid,e-3-pyridin-4-yl-acrylic acid PubChem CID: 736782 IUPAC Name: (E)-3-pyridin-4-ylprop-2-enoic acid SMILES: C1=CN=CC=C1C=CC(=O)O
| PubChem CID | 736782 |
|---|---|
| CAS | 84228-93-3 |
| Molecular Weight (g/mol) | 149.149 |
| MDL Number | MFCD00040746 |
| SMILES | C1=CN=CC=C1C=CC(=O)O |
| Synonym | 3-4-pyridyl acrylic acid,trans-3-4-pyridyl acrylic acid,3-pyridin-4-yl-acrylic acid,4-pyridineacrylic acid,e-3-pyridin-4-yl acrylic acid,3-pyridin-4-yl acrylic acid,2e-3-pyridin-4-ylacrylic acid,3-4-pyridine acrylic acid,2e-3-pyridin-4-yl prop-2-enoic acid,e-3-pyridin-4-yl-acrylic acid |
| IUPAC Name | (E)-3-pyridin-4-ylprop-2-enoic acid |
| InChI Key | SSAYTINUCCRGDR-OWOJBTEDSA-N |
| Molecular Formula | C8H7NO2 |
Scandium(III) trifluoromethanesulfonate, 95%
CAS: 144026-79-9 Molecular Formula: C3F9O9S3Sc Molecular Weight (g/mol): 492.17 MDL Number: MFCD00192433 InChI Key: HZXJVDYQRYYYOR-UHFFFAOYSA-K Synonym: scandium iii trifluoromethanesulfonate,scandium trifluoromethanesulfonate,scandium iii triflate,scandium triflate,sc otf 3,scandium 3+ ; trifluoromethanesulfonate,trifluoromethanesulfonic acid scandium iii salt,scandium iii trifluoromethanesulphonate,scandium tris trifluoromethanesulfonate,scandiumtriflate PubChem CID: 2734571 IUPAC Name: scandium(3+);trifluoromethanesulfonate SMILES: C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Sc+3]
| PubChem CID | 2734571 |
|---|---|
| CAS | 144026-79-9 |
| Molecular Weight (g/mol) | 492.17 |
| MDL Number | MFCD00192433 |
| SMILES | C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Sc+3] |
| Synonym | scandium iii trifluoromethanesulfonate,scandium trifluoromethanesulfonate,scandium iii triflate,scandium triflate,sc otf 3,scandium 3+ ; trifluoromethanesulfonate,trifluoromethanesulfonic acid scandium iii salt,scandium iii trifluoromethanesulphonate,scandium tris trifluoromethanesulfonate,scandiumtriflate |
| IUPAC Name | scandium(3+);trifluoromethanesulfonate |
| InChI Key | HZXJVDYQRYYYOR-UHFFFAOYSA-K |
| Molecular Formula | C3F9O9S3Sc |
4-Benzyloxy-2-methylbenzeneboronic acid, 98%
CAS: 847560-49-0 Molecular Formula: C14H15BO3 Molecular Weight (g/mol): 242.081 MDL Number: MFCD03788404 InChI Key: VCDFDGOVNBMYRW-UHFFFAOYSA-N Synonym: 4-benzyloxy-2-methylphenylboronic acid,4-benzyloxy-2-methylphenyl boronic acid,4-benzyloxy-2-methylbenzeneboronic acid,5-benzyloxytoluene-2-boronic acid,acmc-209pwd,2-methyl-4-benzyloxyphenylboronic acid,4-benzyloxy-2-methylphenyl boronicacid PubChem CID: 2773245 IUPAC Name: (2-methyl-4-phenylmethoxyphenyl)boronic acid SMILES: B(C1=C(C=C(C=C1)OCC2=CC=CC=C2)C)(O)O
| PubChem CID | 2773245 |
|---|---|
| CAS | 847560-49-0 |
| Molecular Weight (g/mol) | 242.081 |
| MDL Number | MFCD03788404 |
| SMILES | B(C1=C(C=C(C=C1)OCC2=CC=CC=C2)C)(O)O |
| Synonym | 4-benzyloxy-2-methylphenylboronic acid,4-benzyloxy-2-methylphenyl boronic acid,4-benzyloxy-2-methylbenzeneboronic acid,5-benzyloxytoluene-2-boronic acid,acmc-209pwd,2-methyl-4-benzyloxyphenylboronic acid,4-benzyloxy-2-methylphenyl boronicacid |
| IUPAC Name | (2-methyl-4-phenylmethoxyphenyl)boronic acid |
| InChI Key | VCDFDGOVNBMYRW-UHFFFAOYSA-N |
| Molecular Formula | C14H15BO3 |
4-Amino-3-hydroxy-1-naphthalene Sulfonic Acid, ACS, 90%, Spectrum™ Chemical
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CAS: 116-63-2 Molecular Formula: C10H9NO4S Molecular Weight (g/mol): 239.25 InChI Key: RXCMFQDTWCCLBL-UHFFFAOYSA-N IUPAC Name: 4-amino-3-hydroxynaphthalene-1-sulfonic acid SMILES: NC1=C2C=CC=CC2=C(C=C1O)S(O)(=O)=O
| CAS | 116-63-2 |
|---|---|
| Molecular Weight (g/mol) | 239.25 |
| SMILES | NC1=C2C=CC=CC2=C(C=C1O)S(O)(=O)=O |
| IUPAC Name | 4-amino-3-hydroxynaphthalene-1-sulfonic acid |
| InChI Key | RXCMFQDTWCCLBL-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO4S |
(+)-Diethyl L-tartrate, 99+%
CAS: 87-91-2 Molecular Formula: C8H14O6 Molecular Weight (g/mol): 206.19 MDL Number: MFCD00009143 InChI Key: YSAVZVORKRDODB-UHFFFAOYNA-N Synonym: diethyl l-+-tartrate,2r,3r-diethyl 2,3-dihydroxysuccinate,l +-diethyl l-tartrate,+-diethyl l-tartrate,diethyl l-tartrate,diethyl-l-tartrate,unii-oq72cpy58z,l-+-tartaric acid diethyl ester,diethyl l-tartarate,tartaric acid, diethyl ester, r,r PubChem CID: 6993580 IUPAC Name: diethyl (2R,3R)-2,3-dihydroxybutanedioate SMILES: CCOC(=O)C(O)C(O)C(=O)OCC
| PubChem CID | 6993580 |
|---|---|
| CAS | 87-91-2 |
| Molecular Weight (g/mol) | 206.19 |
| MDL Number | MFCD00009143 |
| SMILES | CCOC(=O)C(O)C(O)C(=O)OCC |
| Synonym | diethyl l-+-tartrate,2r,3r-diethyl 2,3-dihydroxysuccinate,l +-diethyl l-tartrate,+-diethyl l-tartrate,diethyl l-tartrate,diethyl-l-tartrate,unii-oq72cpy58z,l-+-tartaric acid diethyl ester,diethyl l-tartarate,tartaric acid, diethyl ester, r,r |
| IUPAC Name | diethyl (2R,3R)-2,3-dihydroxybutanedioate |
| InChI Key | YSAVZVORKRDODB-UHFFFAOYNA-N |
| Molecular Formula | C8H14O6 |
Glycidyl (S)-(+)-3-nitrobenzenesulfonate, 98%
CAS: 115314-14-2 Molecular Formula: C9H9NO6S Molecular Weight (g/mol): 259.23 MDL Number: MFCD00064582 InChI Key: AIHIHVZYAAMDPM-QMMMGPOBSA-N Synonym: s-+-glycidyl nosylate,s-glycidyl nosylate,s-glycidyl 3-nitrobenzenesulfonate,s-oxiran-2-ylmethyl 3-nitrobenzenesulfonate,s-+-glycidyl 3-nitrobenzenesulfonate,glycidyl 3-nitrobenzenesulfonate,ccris 6394,2s-+-glycidyl-3-nitrobenzenesulfonate,oxiranylmethyl s-3-nitrobenzenesulfonate,2s-oxiran-2-yl methyl 3-nitrobenzenesulfonate PubChem CID: 146490 IUPAC Name: [(2S)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate SMILES: [O-][N+](=O)C1=CC=CC(=C1)S(=O)(=O)OC[C@@H]1CO1
| PubChem CID | 146490 |
|---|---|
| CAS | 115314-14-2 |
| Molecular Weight (g/mol) | 259.23 |
| MDL Number | MFCD00064582 |
| SMILES | [O-][N+](=O)C1=CC=CC(=C1)S(=O)(=O)OC[C@@H]1CO1 |
| Synonym | s-+-glycidyl nosylate,s-glycidyl nosylate,s-glycidyl 3-nitrobenzenesulfonate,s-oxiran-2-ylmethyl 3-nitrobenzenesulfonate,s-+-glycidyl 3-nitrobenzenesulfonate,glycidyl 3-nitrobenzenesulfonate,ccris 6394,2s-+-glycidyl-3-nitrobenzenesulfonate,oxiranylmethyl s-3-nitrobenzenesulfonate,2s-oxiran-2-yl methyl 3-nitrobenzenesulfonate |
| IUPAC Name | [(2S)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate |
| InChI Key | AIHIHVZYAAMDPM-QMMMGPOBSA-N |
| Molecular Formula | C9H9NO6S |
Methyl (R)-(-)-β-hydroxyisobutyrate, 98%, Thermo Scientific Chemicals
CAS: 72657-23-9 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.13 MDL Number: MFCD00063450 InChI Key: ATCCIZURPPEVIZ-SCSAIBSYSA-N Synonym: r-methyl 3-hydroxy-2-methylpropanoate,r---3-hydroxy-2-methylpropionic acid methyl ester,methyl r---3-hydroxy-2-methylpropionate,--methyl d-beta-hydroxyisobutyrate,methyl r---3-hydroxyisobutyrate,roche ester,methyl r-3-hydroxy-2-methylpropionate,propanoic acid, 3-hydroxy-2-methyl-, methyl ester, 2r,methyl 2r-3-hydroxy-2-methylpropanoate,r---3-hydroxyisobutyric acid methyl ester PubChem CID: 5324733 IUPAC Name: methyl (2R)-3-hydroxy-2-methylpropanoate SMILES: CC(CO)C(=O)OC
| PubChem CID | 5324733 |
|---|---|
| CAS | 72657-23-9 |
| Molecular Weight (g/mol) | 118.13 |
| MDL Number | MFCD00063450 |
| SMILES | CC(CO)C(=O)OC |
| Synonym | r-methyl 3-hydroxy-2-methylpropanoate,r---3-hydroxy-2-methylpropionic acid methyl ester,methyl r---3-hydroxy-2-methylpropionate,--methyl d-beta-hydroxyisobutyrate,methyl r---3-hydroxyisobutyrate,roche ester,methyl r-3-hydroxy-2-methylpropionate,propanoic acid, 3-hydroxy-2-methyl-, methyl ester, 2r,methyl 2r-3-hydroxy-2-methylpropanoate,r---3-hydroxyisobutyric acid methyl ester |
| IUPAC Name | methyl (2R)-3-hydroxy-2-methylpropanoate |
| InChI Key | ATCCIZURPPEVIZ-SCSAIBSYSA-N |
| Molecular Formula | C5H10O3 |