Organic acids and derivatives
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4-(Boc-aminomethyl)benzeneboronic acid, 95%
CAS: 489446-42-6 Molecular Formula: C12H18BNO4 Molecular Weight (g/mol): 251.09 MDL Number: MFCD04115637 InChI Key: MUBGEKQUCSEECZ-UHFFFAOYSA-N Synonym: 4-n-boc-aminomethyl phenylboronic acid,4-n-boc-amino methyl phenylboronic acid,4-tert-butoxycarbonyl amino methyl phenyl boronic acid,4-n-boc aminomethylphenylboronic acid,4-tert-butoxycarbonylaminomethyl phenylboronic acid,4-2-methylpropan-2-yl oxycarbonylamino methyl phenyl boronic acid,4-boc-aminomethyl benzeneboronic acid,4-aminomethyl benzeneboronic acid, n-boc protected,4-tert-butoxycarbonylamino methyl phenylboronic acid PubChem CID: 3863163 IUPAC Name: [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid SMILES: CC(C)(C)OC(=O)NCC1=CC=C(C=C1)B(O)O
| PubChem CID | 3863163 |
|---|---|
| CAS | 489446-42-6 |
| Molecular Weight (g/mol) | 251.09 |
| MDL Number | MFCD04115637 |
| SMILES | CC(C)(C)OC(=O)NCC1=CC=C(C=C1)B(O)O |
| Synonym | 4-n-boc-aminomethyl phenylboronic acid,4-n-boc-amino methyl phenylboronic acid,4-tert-butoxycarbonyl amino methyl phenyl boronic acid,4-n-boc aminomethylphenylboronic acid,4-tert-butoxycarbonylaminomethyl phenylboronic acid,4-2-methylpropan-2-yl oxycarbonylamino methyl phenyl boronic acid,4-boc-aminomethyl benzeneboronic acid,4-aminomethyl benzeneboronic acid, n-boc protected,4-tert-butoxycarbonylamino methyl phenylboronic acid |
| IUPAC Name | [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid |
| InChI Key | MUBGEKQUCSEECZ-UHFFFAOYSA-N |
| Molecular Formula | C12H18BNO4 |
Thermo Scientific Chemicals Cefditoren pivoxyl
CAS: 117467-28-4 Molecular Formula: C25H28N6O7S3 Molecular Weight (g/mol): 620.71 MDL Number: MFCD00933166 InChI Key: AFZFFLVORLEPPO-UHFFFAOYNA-N IUPAC Name: {7-[2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyloxy}methyl 2,2-dimethylpropanoate SMILES: CON=C(C(=O)NC1C2SCC(C=CC3=C(C)N=CS3)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)C1=CSC(N)=N1
| CAS | 117467-28-4 |
|---|---|
| Molecular Weight (g/mol) | 620.71 |
| MDL Number | MFCD00933166 |
| SMILES | CON=C(C(=O)NC1C2SCC(C=CC3=C(C)N=CS3)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)C1=CSC(N)=N1 |
| IUPAC Name | {7-[2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyloxy}methyl 2,2-dimethylpropanoate |
| InChI Key | AFZFFLVORLEPPO-UHFFFAOYNA-N |
| Molecular Formula | C25H28N6O7S3 |
3-(4-Nitrophenyl)propionic acid, 96%
CAS: 16642-79-8 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00126834 InChI Key: VZOPVJNBOQOLPN-UHFFFAOYSA-N Synonym: 3-4-nitrophenyl propanoic acid,3-4-nitrophenyl propionic acid,benzenepropanoic acid, 4-nitro,3-4-nitrophenyl-propionic acid,4-nitrobenzenepropanoic acid,p-nitrohydrozimtsaure,pubchem13615,p-nitrohydrocinnamic acid PubChem CID: 85526 IUPAC Name: 3-(4-nitrophenyl)propanoic acid SMILES: OC(=O)CCC1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 85526 |
|---|---|
| CAS | 16642-79-8 |
| Molecular Weight (g/mol) | 195.17 |
| MDL Number | MFCD00126834 |
| SMILES | OC(=O)CCC1=CC=C(C=C1)[N+]([O-])=O |
| Synonym | 3-4-nitrophenyl propanoic acid,3-4-nitrophenyl propionic acid,benzenepropanoic acid, 4-nitro,3-4-nitrophenyl-propionic acid,4-nitrobenzenepropanoic acid,p-nitrohydrozimtsaure,pubchem13615,p-nitrohydrocinnamic acid |
| IUPAC Name | 3-(4-nitrophenyl)propanoic acid |
| InChI Key | VZOPVJNBOQOLPN-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO4 |
Isopentyl acetate, 99%, cont. ca 10% other isomers
CAS: 123-92-2 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00008946 InChI Key: MLFHJEHSLIIPHL-UHFFFAOYSA-N Synonym: isoamyl acetate,isopentyl acetate,isopentyl ethanoate,banana oil,pear oil,3-methylbutyl ethanoate,isoamyl ethanoate,iso-amyl acetate,3-methyl-1-butyl acetate,i-amyl acetate PubChem CID: 31276 ChEBI: CHEBI:31725 IUPAC Name: 3-methylbutyl acetate SMILES: CC(C)CCOC(C)=O
| PubChem CID | 31276 |
|---|---|
| CAS | 123-92-2 |
| Molecular Weight (g/mol) | 130.19 |
| ChEBI | CHEBI:31725 |
| MDL Number | MFCD00008946 |
| SMILES | CC(C)CCOC(C)=O |
| Synonym | isoamyl acetate,isopentyl acetate,isopentyl ethanoate,banana oil,pear oil,3-methylbutyl ethanoate,isoamyl ethanoate,iso-amyl acetate,3-methyl-1-butyl acetate,i-amyl acetate |
| IUPAC Name | 3-methylbutyl acetate |
| InChI Key | MLFHJEHSLIIPHL-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
Cycloheptanecarboxylic acid, 95%
CAS: 1460-16-8 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00004152 InChI Key: VZFUCHSFHOYXIS-UHFFFAOYSA-N Synonym: cycloheptane carboxylic acid,cycloheptanoic acid,cycloheptanecarboxylicacid,cyclohepatan carboxylic acid,acmc-1c1rc,sampl4, o9,vzfuchsfhoyxis-uhfffaoysa,cycloheptanecarboxylic acid PubChem CID: 15091 ChEBI: CHEBI:29564 IUPAC Name: cycloheptanecarboxylic acid SMILES: OC(=O)C1CCCCCC1
| PubChem CID | 15091 |
|---|---|
| CAS | 1460-16-8 |
| Molecular Weight (g/mol) | 142.20 |
| ChEBI | CHEBI:29564 |
| MDL Number | MFCD00004152 |
| SMILES | OC(=O)C1CCCCCC1 |
| Synonym | cycloheptane carboxylic acid,cycloheptanoic acid,cycloheptanecarboxylicacid,cyclohepatan carboxylic acid,acmc-1c1rc,sampl4, o9,vzfuchsfhoyxis-uhfffaoysa,cycloheptanecarboxylic acid |
| IUPAC Name | cycloheptanecarboxylic acid |
| InChI Key | VZFUCHSFHOYXIS-UHFFFAOYSA-N |
| Molecular Formula | C8H14O2 |
Pyrrole-2-carboxylic acid, 97%
CAS: 634-97-9 Molecular Formula: C5H5NO2 Molecular Weight (g/mol): 111.1 MDL Number: MFCD00005219 InChI Key: WRHZVMBBRYBTKZ-UHFFFAOYSA-N Synonym: pyrrole-2-carboxylic acid,minaline,minalin,2-pyrrolecarboxylic acid,pyrrole-2-carboxylicacid,pyrrole-2-carboxylate,2-carboxypyrrole,1h-pyrrolecarboxylic acid,9ci,pyc PubChem CID: 12473 ChEBI: CHEBI:36751 IUPAC Name: 1H-pyrrole-2-carboxylic acid SMILES: C1=CNC(=C1)C(=O)O
| PubChem CID | 12473 |
|---|---|
| CAS | 634-97-9 |
| Molecular Weight (g/mol) | 111.1 |
| ChEBI | CHEBI:36751 |
| MDL Number | MFCD00005219 |
| SMILES | C1=CNC(=C1)C(=O)O |
| Synonym | pyrrole-2-carboxylic acid,minaline,minalin,2-pyrrolecarboxylic acid,pyrrole-2-carboxylicacid,pyrrole-2-carboxylate,2-carboxypyrrole,1h-pyrrolecarboxylic acid,9ci,pyc |
| IUPAC Name | 1H-pyrrole-2-carboxylic acid |
| InChI Key | WRHZVMBBRYBTKZ-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO2 |
(Boc-aminooxy)acetic acid, 98+%
CAS: 42989-85-5 Molecular Formula: C7H13NO5 Molecular Weight (g/mol): 191.183 MDL Number: MFCD01632027 InChI Key: QBXODCKYUZNZCY-UHFFFAOYSA-N Synonym: boc-aminooxy acetic acid,2-tert-butoxycarbonyl amino oxy acetic acid,boc-aoa-oh,boc-aminooxyacetic acid,boc-aoac-oh,n-boc-carboxymethoxy amine,boc-aminooxy aceticacid,2-tert-butoxy carbonyl amino oxy acetic acid,2-2-methylpropan-2-yl oxycarbonylamino oxyacetic acid,tert-butoxycarbonyl aminooxy acetic acid PubChem CID: 2755974 IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetic acid SMILES: CC(C)(C)OC(=O)NOCC(=O)O
| PubChem CID | 2755974 |
|---|---|
| CAS | 42989-85-5 |
| Molecular Weight (g/mol) | 191.183 |
| MDL Number | MFCD01632027 |
| SMILES | CC(C)(C)OC(=O)NOCC(=O)O |
| Synonym | boc-aminooxy acetic acid,2-tert-butoxycarbonyl amino oxy acetic acid,boc-aoa-oh,boc-aminooxyacetic acid,boc-aoac-oh,n-boc-carboxymethoxy amine,boc-aminooxy aceticacid,2-tert-butoxy carbonyl amino oxy acetic acid,2-2-methylpropan-2-yl oxycarbonylamino oxyacetic acid,tert-butoxycarbonyl aminooxy acetic acid |
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetic acid |
| InChI Key | QBXODCKYUZNZCY-UHFFFAOYSA-N |
| Molecular Formula | C7H13NO5 |
Butyl formate, 97%
CAS: 592-84-7 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00003296 InChI Key: NMJJFJNHVMGPGM-UHFFFAOYSA-N Synonym: n-butyl formate,formic acid, butyl ester,butyl methanoate,n-butyl methanoate,formic acid butyl ester,n-butylformate,butylester kyseliny mravenci,fema no. 2196,unii-0y9mz7vm9p,butylester kyseliny mravenci czech PubChem CID: 11614 IUPAC Name: butyl formate SMILES: CCCCOC=O
| PubChem CID | 11614 |
|---|---|
| CAS | 592-84-7 |
| Molecular Weight (g/mol) | 102.13 |
| MDL Number | MFCD00003296 |
| SMILES | CCCCOC=O |
| Synonym | n-butyl formate,formic acid, butyl ester,butyl methanoate,n-butyl methanoate,formic acid butyl ester,n-butylformate,butylester kyseliny mravenci,fema no. 2196,unii-0y9mz7vm9p,butylester kyseliny mravenci czech |
| IUPAC Name | butyl formate |
| InChI Key | NMJJFJNHVMGPGM-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
Isobutyl isobutyrate, 98%
CAS: 97-85-8 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00008916 InChI Key: RXGUIWHIADMCFC-UHFFFAOYSA-N Synonym: isobutyl isobutyrate,isobutyl 2-methylpropanoate,isobutyl isobutanoate,isobutyric acid, isobutyl ester,propanoic acid, 2-methyl-, 2-methylpropyl ester,2-methylpropyl 2-methylpropionate,2-methylpropyl isobutyrate,isobutylester kyseliny isomaselne,fema number 2189,2-methyl-1-propyl 2-methylpropanoate PubChem CID: 7351 IUPAC Name: 2-methylpropyl 2-methylpropanoate SMILES: CC(C)COC(=O)C(C)C
| PubChem CID | 7351 |
|---|---|
| CAS | 97-85-8 |
| Molecular Weight (g/mol) | 144.21 |
| MDL Number | MFCD00008916 |
| SMILES | CC(C)COC(=O)C(C)C |
| Synonym | isobutyl isobutyrate,isobutyl 2-methylpropanoate,isobutyl isobutanoate,isobutyric acid, isobutyl ester,propanoic acid, 2-methyl-, 2-methylpropyl ester,2-methylpropyl 2-methylpropionate,2-methylpropyl isobutyrate,isobutylester kyseliny isomaselne,fema number 2189,2-methyl-1-propyl 2-methylpropanoate |
| IUPAC Name | 2-methylpropyl 2-methylpropanoate |
| InChI Key | RXGUIWHIADMCFC-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
Hydrazine acetate, 97%
CAS: 7335-65-1 Molecular Formula: C2H8N2O2 Molecular Weight (g/mol): 92.10 MDL Number: MFCD00013141 InChI Key: YFHNDHXQDJQEEE-UHFFFAOYSA-N Synonym: hydrazine acetate,hydrazinium acetate,hydrazine, monoacetate,hydrazine monoacetate,acetic acid; hydrazine,hydrazineacetate,hydrazine, acetate 1:1,acetic acid; diamine,hydrazine mono-acetate,acmc-209bph PubChem CID: 165591 IUPAC Name: acetic acid;hydrazine SMILES: NN.CC(O)=O
| PubChem CID | 165591 |
|---|---|
| CAS | 7335-65-1 |
| Molecular Weight (g/mol) | 92.10 |
| MDL Number | MFCD00013141 |
| SMILES | NN.CC(O)=O |
| Synonym | hydrazine acetate,hydrazinium acetate,hydrazine, monoacetate,hydrazine monoacetate,acetic acid; hydrazine,hydrazineacetate,hydrazine, acetate 1:1,acetic acid; diamine,hydrazine mono-acetate,acmc-209bph |
| IUPAC Name | acetic acid;hydrazine |
| InChI Key | YFHNDHXQDJQEEE-UHFFFAOYSA-N |
| Molecular Formula | C2H8N2O2 |
n-Hexyl acetate, 99%
CAS: 142-92-7 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD00009524 InChI Key: AOGQPLXWSUTHQB-UHFFFAOYSA-N Synonym: n-hexyl acetate,1-hexyl acetate,hexyl ethanoate,acetic acid hexyl ester,n-hexyl ethanoate,acetic acid, hexyl ester,hexyl alcohol, acetate,l-hexyl acetate,fema no. 2565,natural PubChem CID: 8908 ChEBI: CHEBI:87510 IUPAC Name: hexyl acetate SMILES: CCCCCCOC(=O)C
| PubChem CID | 8908 |
|---|---|
| CAS | 142-92-7 |
| Molecular Weight (g/mol) | 144.214 |
| ChEBI | CHEBI:87510 |
| MDL Number | MFCD00009524 |
| SMILES | CCCCCCOC(=O)C |
| Synonym | n-hexyl acetate,1-hexyl acetate,hexyl ethanoate,acetic acid hexyl ester,n-hexyl ethanoate,acetic acid, hexyl ester,hexyl alcohol, acetate,l-hexyl acetate,fema no. 2565,natural |
| IUPAC Name | hexyl acetate |
| InChI Key | AOGQPLXWSUTHQB-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
Nickel(II) acetate tetrahydrate, 98+%
CAS: 6018-89-9 Molecular Formula: C4H14NiO8 Molecular Weight (g/mol): 248.84 MDL Number: MFCD00066973 InChI Key: OINIXPNQKAZCRL-UHFFFAOYSA-L Synonym: nickel ii acetate tetrahydrate,nickel acetate tetrahydrate,nickel diacetate tetrahydrate,diacetatonickel tetrahydrate,nickelous acetate tetrahydrate,unii-6soa8l0560,acetic acid, nickel +2 salt, tetrahydrate,nickel 2+ diacetate tetrahydrate,nickel acetate tetrahydrate nickel and nickel compounds,acetic acid, nickel 2+ salt, tetrahydrate PubChem CID: 62601 IUPAC Name: nickel(2+);diacetate;tetrahydrate SMILES: O.O.O.O.[Ni++].CC([O-])=O.CC([O-])=O
| PubChem CID | 62601 |
|---|---|
| CAS | 6018-89-9 |
| Molecular Weight (g/mol) | 248.84 |
| MDL Number | MFCD00066973 |
| SMILES | O.O.O.O.[Ni++].CC([O-])=O.CC([O-])=O |
| Synonym | nickel ii acetate tetrahydrate,nickel acetate tetrahydrate,nickel diacetate tetrahydrate,diacetatonickel tetrahydrate,nickelous acetate tetrahydrate,unii-6soa8l0560,acetic acid, nickel +2 salt, tetrahydrate,nickel 2+ diacetate tetrahydrate,nickel acetate tetrahydrate nickel and nickel compounds,acetic acid, nickel 2+ salt, tetrahydrate |
| IUPAC Name | nickel(2+);diacetate;tetrahydrate |
| InChI Key | OINIXPNQKAZCRL-UHFFFAOYSA-L |
| Molecular Formula | C4H14NiO8 |
3-(tert-Butyl)-1-methyl-1H-pyrazole-carboxylic acid, 95%
CAS: 175277-11-9 Molecular Formula: C9H14N2O2 Molecular Weight (g/mol): 182.22 InChI Key: SFSXXMXHJOSBAZ-UHFFFAOYSA-N Synonym: 3-tert-butyl-1-methyl-1h-pyrazole-5-carboxylic acid,3-tert-butyl-1-methylpyrazole-5-carboxylic acid,5-tert-butyl-2-methyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 3-1,1-dimethylethyl-1-methyl,3-t-butyl-1-methyl-1h-pyrazole-5-carboxylic acid,maybridge1_008671,acmc-1bzn5,butylmethylpyrazolecarboxylicacid PubChem CID: 720529 IUPAC Name: 5-tert-butyl-2-methylpyrazole-3-carboxylic acid SMILES: CC(C)(C)C1=NN(C(=C1)C(=O)O)C
| PubChem CID | 720529 |
|---|---|
| CAS | 175277-11-9 |
| Molecular Weight (g/mol) | 182.22 |
| SMILES | CC(C)(C)C1=NN(C(=C1)C(=O)O)C |
| Synonym | 3-tert-butyl-1-methyl-1h-pyrazole-5-carboxylic acid,3-tert-butyl-1-methylpyrazole-5-carboxylic acid,5-tert-butyl-2-methyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 3-1,1-dimethylethyl-1-methyl,3-t-butyl-1-methyl-1h-pyrazole-5-carboxylic acid,maybridge1_008671,acmc-1bzn5,butylmethylpyrazolecarboxylicacid |
| IUPAC Name | 5-tert-butyl-2-methylpyrazole-3-carboxylic acid |
| InChI Key | SFSXXMXHJOSBAZ-UHFFFAOYSA-N |
| Molecular Formula | C9H14N2O2 |
Ethyl imidazole-2-carboxylate, 97%
CAS: 33543-78-1 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.142 MDL Number: MFCD03426031 InChI Key: UHYNYIGCGVDBTC-UHFFFAOYSA-N Synonym: ethyl imidazole-2-carboxylate,1h-imidazole-2-carboxylic acid, ethyl ester,ethyl1h-imidazole-2-carboxylate,1h-imidazole-2-carboxylic acid ethyl ester,ethyl 2-imidazolecarboxylate,imidazole-2-carboxylic acid ethyl ester,2-ethoxycarbonyl-1h-imidazole,ethylimidazole-2-carboxylate,ethoxyformyl imidazole,zlchem 847 PubChem CID: 549404 IUPAC Name: ethyl 1H-imidazole-2-carboxylate SMILES: CCOC(=O)C1=NC=CN1
| PubChem CID | 549404 |
|---|---|
| CAS | 33543-78-1 |
| Molecular Weight (g/mol) | 140.142 |
| MDL Number | MFCD03426031 |
| SMILES | CCOC(=O)C1=NC=CN1 |
| Synonym | ethyl imidazole-2-carboxylate,1h-imidazole-2-carboxylic acid, ethyl ester,ethyl1h-imidazole-2-carboxylate,1h-imidazole-2-carboxylic acid ethyl ester,ethyl 2-imidazolecarboxylate,imidazole-2-carboxylic acid ethyl ester,2-ethoxycarbonyl-1h-imidazole,ethylimidazole-2-carboxylate,ethoxyformyl imidazole,zlchem 847 |
| IUPAC Name | ethyl 1H-imidazole-2-carboxylate |
| InChI Key | UHYNYIGCGVDBTC-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2 |