Organic acids and derivatives
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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 |
Benzyl acrylate, 98%, stab. with ca 150ppm 4-methoxyphenol
CAS: 2495-35-4 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00048147 InChI Key: GCTPMLUUWLLESL-UHFFFAOYSA-N Synonym: benzyl acrylate,benzylacrylate,2-propenoic acid, phenylmethyl ester,sartomer sr 432,acrylic acid, benzyl ester,acrylic acid benzyl ester,phenylmethyl prop-2-enoate,benzyl 2-propenoate,fancryl fa-bza,acrylic acid benzyl PubChem CID: 75617 IUPAC Name: benzyl prop-2-enoate SMILES: C=CC(=O)OCC1=CC=CC=C1
| PubChem CID | 75617 |
|---|---|
| CAS | 2495-35-4 |
| Molecular Weight (g/mol) | 162.19 |
| MDL Number | MFCD00048147 |
| SMILES | C=CC(=O)OCC1=CC=CC=C1 |
| Synonym | benzyl acrylate,benzylacrylate,2-propenoic acid, phenylmethyl ester,sartomer sr 432,acrylic acid, benzyl ester,acrylic acid benzyl ester,phenylmethyl prop-2-enoate,benzyl 2-propenoate,fancryl fa-bza,acrylic acid benzyl |
| IUPAC Name | benzyl prop-2-enoate |
| InChI Key | GCTPMLUUWLLESL-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
Phloroglucinol Dihydrate, 99%
CAS: 6099-90-7 Molecular Formula: C6H6O3·2H2O Molecular Weight (g/mol): 162.14 MDL Number: MFCD00149090 InChI Key: MPYXTIHPALVENR-UHFFFAOYSA-N Synonym: phloroglucinol dihydrate,benzene-1,3,5-triol dihydrate,1,3,5-trihydroxybenzene dihydrate,1,3,5-benzenetriol, dihydrate,phloroglucinol, dihydrate,sym-trihydroxybenze,unii-0x7b22brg1,ccris 6521,1,3,5-benzoltrioldihydrat,phloroglucinoldihydrate PubChem CID: 80196 IUPAC Name: benzene-1,3,5-triol;dihydrate SMILES: C1=C(C=C(C=C1O)O)O.O.O
| PubChem CID | 80196 |
|---|---|
| CAS | 6099-90-7 |
| Molecular Weight (g/mol) | 162.14 |
| MDL Number | MFCD00149090 |
| SMILES | C1=C(C=C(C=C1O)O)O.O.O |
| Synonym | phloroglucinol dihydrate,benzene-1,3,5-triol dihydrate,1,3,5-trihydroxybenzene dihydrate,1,3,5-benzenetriol, dihydrate,phloroglucinol, dihydrate,sym-trihydroxybenze,unii-0x7b22brg1,ccris 6521,1,3,5-benzoltrioldihydrat,phloroglucinoldihydrate |
| IUPAC Name | benzene-1,3,5-triol;dihydrate |
| InChI Key | MPYXTIHPALVENR-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3·2H2O |
2,5-Dichlorosulfanilic Acid, Spectrum™ Chemical
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CAS: 88-50-6
| CAS | 88-50-6 |
|---|
Methyl 2-octynoate, 98%
CAS: 111-12-6 Molecular Formula: C9H14O2 Molecular Weight (g/mol): 154.209 MDL Number: MFCD00009530 InChI Key: FRLZQXRXIKQFNS-UHFFFAOYSA-N Synonym: methyl 2-octynoate,folione,methyl heptine carbonate,methyl 2-octynate,methyl 2-octinate,2-octynoic acid, methyl ester,vert de violette, artificial,methyl hept-1-yne-1-carboxylate,methyl pentylacetylenecarboxylate,unii-0ttp6yt2t3 PubChem CID: 8092 IUPAC Name: methyl oct-2-ynoate SMILES: CCCCCC#CC(=O)OC
| PubChem CID | 8092 |
|---|---|
| CAS | 111-12-6 |
| Molecular Weight (g/mol) | 154.209 |
| MDL Number | MFCD00009530 |
| SMILES | CCCCCC#CC(=O)OC |
| Synonym | methyl 2-octynoate,folione,methyl heptine carbonate,methyl 2-octynate,methyl 2-octinate,2-octynoic acid, methyl ester,vert de violette, artificial,methyl hept-1-yne-1-carboxylate,methyl pentylacetylenecarboxylate,unii-0ttp6yt2t3 |
| IUPAC Name | methyl oct-2-ynoate |
| InChI Key | FRLZQXRXIKQFNS-UHFFFAOYSA-N |
| Molecular Formula | C9H14O2 |
Cycloheptylacetic acid, 99%
CAS: 4401-20-1 Molecular Formula: C9H16O2 Molecular Weight (g/mol): 156.225 MDL Number: MFCD01075701 InChI Key: DQNWKASPZFJVMJ-UHFFFAOYSA-N Synonym: cycloheptylacetic acid,cycloheptaneacetic acid,2-cycloheptylaceticacid,pubchem16200,acmc-20ald3 PubChem CID: 227401 IUPAC Name: 2-cycloheptylacetic acid SMILES: C1CCCC(CC1)CC(=O)O
| PubChem CID | 227401 |
|---|---|
| CAS | 4401-20-1 |
| Molecular Weight (g/mol) | 156.225 |
| MDL Number | MFCD01075701 |
| SMILES | C1CCCC(CC1)CC(=O)O |
| Synonym | cycloheptylacetic acid,cycloheptaneacetic acid,2-cycloheptylaceticacid,pubchem16200,acmc-20ald3 |
| IUPAC Name | 2-cycloheptylacetic acid |
| InChI Key | DQNWKASPZFJVMJ-UHFFFAOYSA-N |
| Molecular Formula | C9H16O2 |
4-Biphenylboronic acid, 97%
CAS: 5122-94-1 Molecular Formula: C12H11BO2 Molecular Weight (g/mol): 198.03 MDL Number: MFCD00093311 InChI Key: XPEIJWZLPWNNOK-UHFFFAOYSA-N Synonym: 4-biphenylboronic acid,1,1'-biphenyl-4-ylboronic acid,biphenyl-4-boronic acid,4-biphenyl boronic acid,biphenylboronic acid,4-phenylphenyl boranediol,4-phenylphenyl boronic acid,biphenyl-4-ylboronic acid,1,1'-biphenyl-4-yl-boronic acid,4-phenylbenzeneboronic acid PubChem CID: 151253 IUPAC Name: (4-phenylphenyl)boronic acid SMILES: OB(O)C1=CC=C(C=C1)C1=CC=CC=C1
| PubChem CID | 151253 |
|---|---|
| CAS | 5122-94-1 |
| Molecular Weight (g/mol) | 198.03 |
| MDL Number | MFCD00093311 |
| SMILES | OB(O)C1=CC=C(C=C1)C1=CC=CC=C1 |
| Synonym | 4-biphenylboronic acid,1,1'-biphenyl-4-ylboronic acid,biphenyl-4-boronic acid,4-biphenyl boronic acid,biphenylboronic acid,4-phenylphenyl boranediol,4-phenylphenyl boronic acid,biphenyl-4-ylboronic acid,1,1'-biphenyl-4-yl-boronic acid,4-phenylbenzeneboronic acid |
| IUPAC Name | (4-phenylphenyl)boronic acid |
| InChI Key | XPEIJWZLPWNNOK-UHFFFAOYSA-N |
| Molecular Formula | C12H11BO2 |
5-Bromopyridine-3-boronic acid, tech. 85%, Thermo Scientific Chemicals
CAS: 452972-09-7 Molecular Formula: C5H5BBrNO2 Molecular Weight (g/mol): 201.81 MDL Number: MFCD02685634 InChI Key: ICCGFOKNFZWCTJ-UHFFFAOYSA-N Synonym: 5-bromopyridine-3-boronic acid,5-bromopyridin-3-yl boronic acid,3-bromopyridine-5-boronic acid,3-bromo-5-pyridineboronic acid,3-bromopyridyl-5-boronic acid,5-bromo-3-pyridyl boronic acid,3-bromo-5-pyridylboronic acid,boronic acid, 5-bromo-3-pyridinyl,5-bromopyridine-3-boronicacid,pubchem5305 PubChem CID: 3814811 IUPAC Name: (5-bromopyridin-3-yl)boronic acid SMILES: OB(O)C1=CN=CC(Br)=C1
| PubChem CID | 3814811 |
|---|---|
| CAS | 452972-09-7 |
| Molecular Weight (g/mol) | 201.81 |
| MDL Number | MFCD02685634 |
| SMILES | OB(O)C1=CN=CC(Br)=C1 |
| Synonym | 5-bromopyridine-3-boronic acid,5-bromopyridin-3-yl boronic acid,3-bromopyridine-5-boronic acid,3-bromo-5-pyridineboronic acid,3-bromopyridyl-5-boronic acid,5-bromo-3-pyridyl boronic acid,3-bromo-5-pyridylboronic acid,boronic acid, 5-bromo-3-pyridinyl,5-bromopyridine-3-boronicacid,pubchem5305 |
| IUPAC Name | (5-bromopyridin-3-yl)boronic acid |
| InChI Key | ICCGFOKNFZWCTJ-UHFFFAOYSA-N |
| Molecular Formula | C5H5BBrNO2 |
Urea, Ultrapure Bioreagent, J.T. Baker™
CAS: 57-13-6 Molecular Formula: CH4N2O Molecular Weight (g/mol): 60.056 InChI Key: XSQUKJJJFZCRTK-UHFFFAOYSA-N Synonym: carbamide,isourea,carbonyldiamide,ureophil,carbonyldiamine,carbamimidic acid,pseudourea,ureaphil,urevert,alphadrate PubChem CID: 1176 ChEBI: CHEBI:48376 IUPAC Name: urea SMILES: C(=O)(N)N
| PubChem CID | 1176 |
|---|---|
| CAS | 57-13-6 |
| Molecular Weight (g/mol) | 60.056 |
| ChEBI | CHEBI:48376 |
| SMILES | C(=O)(N)N |
| Synonym | carbamide,isourea,carbonyldiamide,ureophil,carbonyldiamine,carbamimidic acid,pseudourea,ureaphil,urevert,alphadrate |
| IUPAC Name | urea |
| InChI Key | XSQUKJJJFZCRTK-UHFFFAOYSA-N |
| Molecular Formula | CH4N2O |
Urea, BAKER ANALYZED™ A.C.S. Reagent, J.T. Baker™
CAS: 57-13-6 Molecular Formula: CH4N2O Molecular Weight (g/mol): 60.056 InChI Key: XSQUKJJJFZCRTK-UHFFFAOYSA-N Synonym: carbamide,isourea,carbonyldiamide,ureophil,carbonyldiamine,carbamimidic acid,pseudourea,ureaphil,urevert,alphadrate PubChem CID: 1176 ChEBI: CHEBI:48376 IUPAC Name: urea SMILES: C(=O)(N)N
| PubChem CID | 1176 |
|---|---|
| CAS | 57-13-6 |
| Molecular Weight (g/mol) | 60.056 |
| ChEBI | CHEBI:48376 |
| SMILES | C(=O)(N)N |
| Synonym | carbamide,isourea,carbonyldiamide,ureophil,carbonyldiamine,carbamimidic acid,pseudourea,ureaphil,urevert,alphadrate |
| IUPAC Name | urea |
| InChI Key | XSQUKJJJFZCRTK-UHFFFAOYSA-N |
| Molecular Formula | CH4N2O |
N,N-Dibutylformamide, 99+%, Thermo Scientific Chemicals
CAS: 761-65-9 Molecular Formula: C9H19NO Molecular Weight (g/mol): 157.26 MDL Number: MFCD00003289 InChI Key: NZMAJUHVSZBJHL-UHFFFAOYSA-N Synonym: dibutylformamide,formamide, n,n-dibutyl,n,n-di-n-butylformamide,formamide, n,n-di-n-butyl,dibutylamid kyseliny mravenci,dibutylamid kyseliny mravenci czech,formamide, dibutyl,n-formyldibutylamine,formamide,n-dibutyl,n,n-di-butylformamide PubChem CID: 12975 IUPAC Name: N,N-dibutylformamide SMILES: CCCCN(CCCC)C=O
| PubChem CID | 12975 |
|---|---|
| CAS | 761-65-9 |
| Molecular Weight (g/mol) | 157.26 |
| MDL Number | MFCD00003289 |
| SMILES | CCCCN(CCCC)C=O |
| Synonym | dibutylformamide,formamide, n,n-dibutyl,n,n-di-n-butylformamide,formamide, n,n-di-n-butyl,dibutylamid kyseliny mravenci,dibutylamid kyseliny mravenci czech,formamide, dibutyl,n-formyldibutylamine,formamide,n-dibutyl,n,n-di-butylformamide |
| IUPAC Name | N,N-dibutylformamide |
| InChI Key | NZMAJUHVSZBJHL-UHFFFAOYSA-N |
| Molecular Formula | C9H19NO |
DL-Carnitine hydrochloride, 99%
CAS: 461-05-2 Molecular Formula: C7H15NO3·HCl Molecular Weight (g/mol): 197.66 MDL Number: MFCD00011904 InChI Key: JXXCENBLGFBQJM-UHFFFAOYSA-O Synonym: dl-carnitine hydrochloride,3-carboxy-2-hydroxypropyl-trimethylammonium hydrochloride,2,4-bis oxidanyl-4-oxidanylidene-butyl-trimethyl-azanium hydrochloride PubChem CID: 24206429 IUPAC Name: (3-carboxy-2-hydroxypropyl)-trimethylazanium;hydrochloride SMILES: C[N+](C)(C)CC(CC(=O)O)O.Cl
| PubChem CID | 24206429 |
|---|---|
| CAS | 461-05-2 |
| Molecular Weight (g/mol) | 197.66 |
| MDL Number | MFCD00011904 |
| SMILES | C[N+](C)(C)CC(CC(=O)O)O.Cl |
| Synonym | dl-carnitine hydrochloride,3-carboxy-2-hydroxypropyl-trimethylammonium hydrochloride,2,4-bis oxidanyl-4-oxidanylidene-butyl-trimethyl-azanium hydrochloride |
| IUPAC Name | (3-carboxy-2-hydroxypropyl)-trimethylazanium;hydrochloride |
| InChI Key | JXXCENBLGFBQJM-UHFFFAOYSA-O |
| Molecular Formula | C7H15NO3·HCl |
O-(endo-5-Norbornene-2,3-dicarboximido)-N,N,N',N'-tetramethyluronium tetrafluoroborate, 98+%
CAS: 125700-73-4 Molecular Formula: C14H20BF4N3O3 Molecular Weight (g/mol): 365.14 MDL Number: MFCD00167753 InChI Key: DMTWWFCCBWWXSA-UHFFFAOYNA-N Synonym: 2-endo-5-norbornene-2,3-dicarboxymido-1,1,3,3-tetramethyluronium tetrafluoroborate,dimethylamino 1r,2s,6r,7s-3,5-dioxo-4-azatricyclo 5.2.1.0_,? dec-8-en-4-yl oxy methylidene dimethylazanium tetrafluoroborate PubChem CID: 91634054 IUPAC Name: [(dimethylamino)({3,5-dioxo-4-azatricyclo[5.2.1.0²,⁶]dec-8-en-4-yl}oxy)methylidene]dimethylazanium; tetrafluoroboranuide SMILES: F[B-](F)(F)F.CN(C)C(ON1C(=O)C2C3CC(C=C3)C2C1=O)=[N+](C)C
| PubChem CID | 91634054 |
|---|---|
| CAS | 125700-73-4 |
| Molecular Weight (g/mol) | 365.14 |
| MDL Number | MFCD00167753 |
| SMILES | F[B-](F)(F)F.CN(C)C(ON1C(=O)C2C3CC(C=C3)C2C1=O)=[N+](C)C |
| Synonym | 2-endo-5-norbornene-2,3-dicarboxymido-1,1,3,3-tetramethyluronium tetrafluoroborate,dimethylamino 1r,2s,6r,7s-3,5-dioxo-4-azatricyclo 5.2.1.0_,? dec-8-en-4-yl oxy methylidene dimethylazanium tetrafluoroborate |
| IUPAC Name | [(dimethylamino)({3,5-dioxo-4-azatricyclo[5.2.1.0²,⁶]dec-8-en-4-yl}oxy)methylidene]dimethylazanium; tetrafluoroboranuide |
| InChI Key | DMTWWFCCBWWXSA-UHFFFAOYNA-N |
| Molecular Formula | C14H20BF4N3O3 |
Ethyl Benzoate, 99%, Spectrum™ Chemical
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CAS: 93-89-0
| CAS | 93-89-0 |
|---|
5-Bromooxindole, 98%
CAS: 20870-78-4 Molecular Formula: C8H6BrNO Molecular Weight (g/mol): 212.046 MDL Number: MFCD00456998 InChI Key: VIMNAEVMZXIKFL-UHFFFAOYSA-N Synonym: 5-bromooxindole,5-bromoindolin-2-one,5-bromo-2-oxindole,5-bromo-1,3-dihydro-2h-indol-2-one,5-bromo-2,3-dihydro-1h-indol-2-one,5-bromo-2-indolinone,5-bromo-1,3-dihydro-indol-2-one,2h-indol-2-one, 5-bromo-1,3-dihydro,5-bromo-2-oxindol,1,3-dihydro-5-bromoindol-2-one PubChem CID: 611193 IUPAC Name: 5-bromo-1,3-dihydroindol-2-one SMILES: C1C2=C(C=CC(=C2)Br)NC1=O
| PubChem CID | 611193 |
|---|---|
| CAS | 20870-78-4 |
| Molecular Weight (g/mol) | 212.046 |
| MDL Number | MFCD00456998 |
| SMILES | C1C2=C(C=CC(=C2)Br)NC1=O |
| Synonym | 5-bromooxindole,5-bromoindolin-2-one,5-bromo-2-oxindole,5-bromo-1,3-dihydro-2h-indol-2-one,5-bromo-2,3-dihydro-1h-indol-2-one,5-bromo-2-indolinone,5-bromo-1,3-dihydro-indol-2-one,2h-indol-2-one, 5-bromo-1,3-dihydro,5-bromo-2-oxindol,1,3-dihydro-5-bromoindol-2-one |
| IUPAC Name | 5-bromo-1,3-dihydroindol-2-one |
| InChI Key | VIMNAEVMZXIKFL-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrNO |