Carboxylic acids and derivatives
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1,3-Butanediol Dimethacrylate (stabilized with MEHQ) 98.0+%, TCI America™
CAS: 1189-08-8 Molecular Formula: C12H18O4 Molecular Weight (g/mol): 226.272 MDL Number: MFCD00014930 InChI Key: VDYWHVQKENANGY-UHFFFAOYSA-N Synonym: 1,3-Butylene Glycol Dimethacrylate PubChem CID: 70916 IUPAC Name: 3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate SMILES: CC(CCOC(=O)C(=C)C)OC(=O)C(=C)C
| PubChem CID | 70916 |
|---|---|
| CAS | 1189-08-8 |
| Molecular Weight (g/mol) | 226.272 |
| MDL Number | MFCD00014930 |
| SMILES | CC(CCOC(=O)C(=C)C)OC(=O)C(=C)C |
| Synonym | 1,3-Butylene Glycol Dimethacrylate |
| IUPAC Name | 3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate |
| InChI Key | VDYWHVQKENANGY-UHFFFAOYSA-N |
| Molecular Formula | C12H18O4 |
Trisodium Hydrogen Ethylenediaminetetraacetate Hydrate 98.0+%, TCI America™
CAS: 85715-60-2 Molecular Formula: C10H13N2Na3O8 Molecular Weight (g/mol): 358.19 MDL Number: MFCD00149675 InChI Key: QZKRHPLGUJDVAR-UHFFFAOYSA-K Synonym: trisodium hydrogen ethylenediaminetetraacetate hydrate,tricon bw,unii-zmn5a047nl,endrate,edta triasodium salt,zmn5a047nl,ethylenediaminetetraacetic acid trisodium salt hydrate,sequestrene sodium 3,trisodium edta monohydrate,edetate trisodium monohydrate PubChem CID: 16211179 IUPAC Name: trisodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxymethyl)amino)acetate SMILES: [Na+].[Na+].[Na+].OC(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O
| PubChem CID | 16211179 |
|---|---|
| CAS | 85715-60-2 |
| Molecular Weight (g/mol) | 358.19 |
| MDL Number | MFCD00149675 |
| SMILES | [Na+].[Na+].[Na+].OC(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O |
| Synonym | trisodium hydrogen ethylenediaminetetraacetate hydrate,tricon bw,unii-zmn5a047nl,endrate,edta triasodium salt,zmn5a047nl,ethylenediaminetetraacetic acid trisodium salt hydrate,sequestrene sodium 3,trisodium edta monohydrate,edetate trisodium monohydrate |
| IUPAC Name | trisodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxymethyl)amino)acetate |
| InChI Key | QZKRHPLGUJDVAR-UHFFFAOYSA-K |
| Molecular Formula | C10H13N2Na3O8 |
(-)-O-Acetyl-L-malic Anhydride 97.0+%, TCI America™
CAS: 59025-03-5 Molecular Formula: C6H6O5 Molecular Weight (g/mol): 158.109 MDL Number: MFCD00082708 InChI Key: SSWJHSASZZAIAU-BYPYZUCNSA-N Synonym: s---2-acetoxysuccinic anhydride,--o-acetyl-l-malic anhydride,s-2-acetoxysuccinic anhydride,2,5-furandione, 3-acetyloxy dihydro-, 3s,s-acetoxysuccinic anhydride,--o-acetylmalic anhydride,o-acetyl-l-malic anhydride,s-3-acetoxy-dihydro-2,5-furandione,2,5-dioxotetrahydro-3-furanyl acetate #,s-2,5-dioxotetrahydrofuran-3-yl acetate PubChem CID: 11126528 IUPAC Name: [(3S)-2,5-dioxooxolan-3-yl] acetate SMILES: CC(=O)OC1CC(=O)OC1=O
| PubChem CID | 11126528 |
|---|---|
| CAS | 59025-03-5 |
| Molecular Weight (g/mol) | 158.109 |
| MDL Number | MFCD00082708 |
| SMILES | CC(=O)OC1CC(=O)OC1=O |
| Synonym | s---2-acetoxysuccinic anhydride,--o-acetyl-l-malic anhydride,s-2-acetoxysuccinic anhydride,2,5-furandione, 3-acetyloxy dihydro-, 3s,s-acetoxysuccinic anhydride,--o-acetylmalic anhydride,o-acetyl-l-malic anhydride,s-3-acetoxy-dihydro-2,5-furandione,2,5-dioxotetrahydro-3-furanyl acetate #,s-2,5-dioxotetrahydrofuran-3-yl acetate |
| IUPAC Name | [(3S)-2,5-dioxooxolan-3-yl] acetate |
| InChI Key | SSWJHSASZZAIAU-BYPYZUCNSA-N |
| Molecular Formula | C6H6O5 |
EDTA, Certified, 0.0575M ±0.0005M (0.115N), LabChem™
CAS: 6381-92-6 Molecular Formula: C10H18N2Na2O10 Molecular Weight (g/mol): 372.24 MDL Number: MFCD00150037,MFCD00003541 InChI Key: OVBJJZOQPCKUOR-UHFFFAOYSA-L Synonym: edta disodium salt,cal-ex decalcifier,buffer solution, ph 10.00,sodium di ethylenediamine tetraacetate dihydrate,ethylenediamine tetraacetic acid, disodium salt dihydrate,ethylenediamine tetraacetic acid, disodium salt, standard solution,sodium di ethylenediamine tetraacetate standard solution,ethylenedinitrilo tetraacetic acid disodium, dihydrate, reagent, acs PubChem CID: 44120005 IUPAC Name: disodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate dihydrate SMILES: O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O
| PubChem CID | 44120005 |
|---|---|
| CAS | 6381-92-6 |
| Molecular Weight (g/mol) | 372.24 |
| MDL Number | MFCD00150037,MFCD00003541 |
| SMILES | O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O |
| Synonym | edta disodium salt,cal-ex decalcifier,buffer solution, ph 10.00,sodium di ethylenediamine tetraacetate dihydrate,ethylenediamine tetraacetic acid, disodium salt dihydrate,ethylenediamine tetraacetic acid, disodium salt, standard solution,sodium di ethylenediamine tetraacetate standard solution,ethylenedinitrilo tetraacetic acid disodium, dihydrate, reagent, acs |
| IUPAC Name | disodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate dihydrate |
| InChI Key | OVBJJZOQPCKUOR-UHFFFAOYSA-L |
| Molecular Formula | C10H18N2Na2O10 |
Butyl Hexanoate 98.0+%, TCI America™
CAS: 626-82-4 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.268 MDL Number: MFCD00053804 InChI Key: RPRPDTXKGSIXMD-UHFFFAOYSA-N Synonym: Hexanoic Acid Butyl Ester PubChem CID: 12294 IUPAC Name: butyl hexanoate SMILES: CCCCCC(=O)OCCCC
| PubChem CID | 12294 |
|---|---|
| CAS | 626-82-4 |
| Molecular Weight (g/mol) | 172.268 |
| MDL Number | MFCD00053804 |
| SMILES | CCCCCC(=O)OCCCC |
| Synonym | Hexanoic Acid Butyl Ester |
| IUPAC Name | butyl hexanoate |
| InChI Key | RPRPDTXKGSIXMD-UHFFFAOYSA-N |
| Molecular Formula | C10H20O2 |
4-Cyclohexanebutyric Acid 98.0+%, TCI America™
CAS: 4441-63-8 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.252 MDL Number: MFCD00001529 InChI Key: UVZMNGNFERVGRC-UHFFFAOYSA-N Synonym: 4-cyclohexylbutyric acid,cyclohexanebutyric acid,cyclohexanebutanoic acid,4-cyclohexanebutyric acid,cyclohexanebutyricacid,pubchem15521,acmc-20aj2k,cyclohexane-butyric acid,4-cyclohexanebutyricacid,4-cyclohexyl butyric acid PubChem CID: 75200 IUPAC Name: 4-cyclohexylbutanoic acid SMILES: C1CCC(CC1)CCCC(=O)O
| PubChem CID | 75200 |
|---|---|
| CAS | 4441-63-8 |
| Molecular Weight (g/mol) | 170.252 |
| MDL Number | MFCD00001529 |
| SMILES | C1CCC(CC1)CCCC(=O)O |
| Synonym | 4-cyclohexylbutyric acid,cyclohexanebutyric acid,cyclohexanebutanoic acid,4-cyclohexanebutyric acid,cyclohexanebutyricacid,pubchem15521,acmc-20aj2k,cyclohexane-butyric acid,4-cyclohexanebutyricacid,4-cyclohexyl butyric acid |
| IUPAC Name | 4-cyclohexylbutanoic acid |
| InChI Key | UVZMNGNFERVGRC-UHFFFAOYSA-N |
| Molecular Formula | C10H18O2 |
Cyanoacetic Acid 98.0+%, TCI America™
CAS: 372-09-8 Molecular Formula: C3H3NO2 Molecular Weight (g/mol): 85.062 MDL Number: MFCD00002677 InChI Key: MLIREBYILWEBDM-UHFFFAOYSA-N Synonym: cyanoacetic acid,acetic acid, cyano,malonic mononitrile,acide cyanacetique,cyanessigsaeure,monocyanoacetic acid,malonic acid mononitrile,usaf kf-17,cyanoethanoic acid,kyselina kyanoctova PubChem CID: 9740 ChEBI: CHEBI:51889 IUPAC Name: 2-cyanoacetic acid SMILES: C(C#N)C(=O)O
| PubChem CID | 9740 |
|---|---|
| CAS | 372-09-8 |
| Molecular Weight (g/mol) | 85.062 |
| ChEBI | CHEBI:51889 |
| MDL Number | MFCD00002677 |
| SMILES | C(C#N)C(=O)O |
| Synonym | cyanoacetic acid,acetic acid, cyano,malonic mononitrile,acide cyanacetique,cyanessigsaeure,monocyanoacetic acid,malonic acid mononitrile,usaf kf-17,cyanoethanoic acid,kyselina kyanoctova |
| IUPAC Name | 2-cyanoacetic acid |
| InChI Key | MLIREBYILWEBDM-UHFFFAOYSA-N |
| Molecular Formula | C3H3NO2 |
Isobutyl Formate 95.0+%, TCI America™
CAS: 542-55-2 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00003293 InChI Key: AVMSWPWPYJVYKY-UHFFFAOYSA-N Synonym: isobutyl formate,isobutyl methanoate,tetryl formate,formic acid, 2-methylpropyl ester,iso-butyl formate,formic acid, isobutyl ester,isobutyl methanote,2-methyl-1-propyl formate,isobutyl formate natural,isobutylester kyseliny mravenci PubChem CID: 10957 IUPAC Name: 2-methylpropyl formate SMILES: CC(C)COC=O
| PubChem CID | 10957 |
|---|---|
| CAS | 542-55-2 |
| Molecular Weight (g/mol) | 102.133 |
| MDL Number | MFCD00003293 |
| SMILES | CC(C)COC=O |
| Synonym | isobutyl formate,isobutyl methanoate,tetryl formate,formic acid, 2-methylpropyl ester,iso-butyl formate,formic acid, isobutyl ester,isobutyl methanote,2-methyl-1-propyl formate,isobutyl formate natural,isobutylester kyseliny mravenci |
| IUPAC Name | 2-methylpropyl formate |
| InChI Key | AVMSWPWPYJVYKY-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
Benzenepentacarboxylic Acid 98.0+%, TCI America™
CAS: 1585-40-6 Molecular Formula: C11H6O10 Molecular Weight (g/mol): 298.159 MDL Number: MFCD00020281 InChI Key: QNSOHXTZPUMONC-UHFFFAOYSA-N PubChem CID: 15314 IUPAC Name: benzene-1,2,3,4,5-pentacarboxylic acid SMILES: C1=C(C(=C(C(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O
| PubChem CID | 15314 |
|---|---|
| CAS | 1585-40-6 |
| Molecular Weight (g/mol) | 298.159 |
| MDL Number | MFCD00020281 |
| SMILES | C1=C(C(=C(C(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O |
| IUPAC Name | benzene-1,2,3,4,5-pentacarboxylic acid |
| InChI Key | QNSOHXTZPUMONC-UHFFFAOYSA-N |
| Molecular Formula | C11H6O10 |
Neu5Troc[1Me,4789Ac]alpha(2-3)Gal[26Bn]-beta-MP 98.0+%, TCI America™
CAS: 610763-72-9 Molecular Formula: C48H56Cl3NO20 Molecular Weight (g/mol): 1073.313 InChI Key: HNINFVMNWIPTPG-IJDKSFGZSA-N PubChem CID: 56973700 IUPAC Name: methyl 4-acetyloxy-2-[5-hydroxy-2-(4-methoxyphenoxy)-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-5-(2,2,2-trichloroethoxycarbonylamino)oxane-2-carboxylate SMILES: CC(=O)OCC(C(C1C(C(CC(O1)(C(=O)OC)OC2C(C(OC(C2OCC3=CC=CC=C3)OC4=CC=C(C=C4)OC)COCC5=CC=CC=C5)O)OC(=O)C)NC(=O)OCC(Cl)(Cl)Cl)OC(=O)C)OC(=O)C
| PubChem CID | 56973700 |
|---|---|
| CAS | 610763-72-9 |
| Molecular Weight (g/mol) | 1073.313 |
| SMILES | CC(=O)OCC(C(C1C(C(CC(O1)(C(=O)OC)OC2C(C(OC(C2OCC3=CC=CC=C3)OC4=CC=C(C=C4)OC)COCC5=CC=CC=C5)O)OC(=O)C)NC(=O)OCC(Cl)(Cl)Cl)OC(=O)C)OC(=O)C |
| IUPAC Name | methyl 4-acetyloxy-2-[5-hydroxy-2-(4-methoxyphenoxy)-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-5-(2,2,2-trichloroethoxycarbonylamino)oxane-2-carboxylate |
| InChI Key | HNINFVMNWIPTPG-IJDKSFGZSA-N |
| Molecular Formula | C48H56Cl3NO20 |
Diethylenetriaminepentaacetic Dianhydride 98.0+%, TCI America™
CAS: 23911-26-4 Molecular Formula: C14H19N3O8 Molecular Weight (g/mol): 357.319 MDL Number: MFCD00010697 InChI Key: RAZLJUXJEOEYAM-UHFFFAOYSA-N Synonym: dtpa-anhydride,cyclic dtpa anhydride,2-bis 2-2,6-dioxomorpholino ethyl amino acetic acid,unii-wnm9rlh5x9,wnm9rlh5x9,diethylenetriaminepentaacetic dianhydride,diethylenetriaminepentaacetic acid dianhydride,cdtpaa,glycine, n,n-bis 2-2,6-dioxo-4-morpholinyl ethyl,bis 2-2,6-dioxomorpholin-4-yl ethyl amino acetic acid PubChem CID: 100825 IUPAC Name: 2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid SMILES: C1C(=O)OC(=O)CN1CCN(CCN2CC(=O)OC(=O)C2)CC(=O)O
| PubChem CID | 100825 |
|---|---|
| CAS | 23911-26-4 |
| Molecular Weight (g/mol) | 357.319 |
| MDL Number | MFCD00010697 |
| SMILES | C1C(=O)OC(=O)CN1CCN(CCN2CC(=O)OC(=O)C2)CC(=O)O |
| Synonym | dtpa-anhydride,cyclic dtpa anhydride,2-bis 2-2,6-dioxomorpholino ethyl amino acetic acid,unii-wnm9rlh5x9,wnm9rlh5x9,diethylenetriaminepentaacetic dianhydride,diethylenetriaminepentaacetic acid dianhydride,cdtpaa,glycine, n,n-bis 2-2,6-dioxo-4-morpholinyl ethyl,bis 2-2,6-dioxomorpholin-4-yl ethyl amino acetic acid |
| IUPAC Name | 2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid |
| InChI Key | RAZLJUXJEOEYAM-UHFFFAOYSA-N |
| Molecular Formula | C14H19N3O8 |
Penta-O-acetyl-alpha-D-glucopyranose 97.0+%, TCI America™
CAS: 604-68-2 Molecular Formula: C16H22O11 Molecular Weight (g/mol): 390.34 MDL Number: MFCD00064071,MFCD00064081 InChI Key: LPTITAGPBXDDGR-UHFFFAOYNA-N Synonym: alpha-d-glucose pentaacetate,a-d-glucopyranose pentaacetate,pentaacetyl-alpha-d-glucose,penta-o-acetyl-alpha-d-glucopyranose,unii-1cs424ns93,1,2,3,4,6-penta-o-acetyl-alpha-d-glucopyranose,alpha-d-glucopyranose pentaacetate,2r,3r,4s,5r,6r-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,glucopyranose, pentaacetate, .alpha.-d,a-d-glucose pentaacetate PubChem CID: 2723636 IUPAC Name: [3,4,5,6-tetrakis(acetyloxy)oxan-2-yl]methyl acetate SMILES: CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
| PubChem CID | 2723636 |
|---|---|
| CAS | 604-68-2 |
| Molecular Weight (g/mol) | 390.34 |
| MDL Number | MFCD00064071,MFCD00064081 |
| SMILES | CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
| Synonym | alpha-d-glucose pentaacetate,a-d-glucopyranose pentaacetate,pentaacetyl-alpha-d-glucose,penta-o-acetyl-alpha-d-glucopyranose,unii-1cs424ns93,1,2,3,4,6-penta-o-acetyl-alpha-d-glucopyranose,alpha-d-glucopyranose pentaacetate,2r,3r,4s,5r,6r-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,glucopyranose, pentaacetate, .alpha.-d,a-d-glucose pentaacetate |
| IUPAC Name | [3,4,5,6-tetrakis(acetyloxy)oxan-2-yl]methyl acetate |
| InChI Key | LPTITAGPBXDDGR-UHFFFAOYNA-N |
| Molecular Formula | C16H22O11 |
Diethylenetriaminepentaacetic Acid Calcium Trisodium Salt Hydrate 98.0+%, TCI America™
CAS: 207226-35-5 Molecular Formula: C14H20CaN3Na3O11 Molecular Weight (g/mol): 515.37 MDL Number: MFCD00150947 InChI Key: AWBWYUNJDQLQGT-UHFFFAOYSA-I Synonym: Calcium Trisodium Diethylenetriaminepentaacetate PubChem CID: 17749130 IUPAC Name: calcium trisodium 2-[bis({2-[bis(carboxylatomethyl)amino]ethyl})amino]acetate hydrate SMILES: O.[Na+].[Na+].[Na+].[Ca++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O
| PubChem CID | 17749130 |
|---|---|
| CAS | 207226-35-5 |
| Molecular Weight (g/mol) | 515.37 |
| MDL Number | MFCD00150947 |
| SMILES | O.[Na+].[Na+].[Na+].[Ca++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O |
| Synonym | Calcium Trisodium Diethylenetriaminepentaacetate |
| IUPAC Name | calcium trisodium 2-[bis({2-[bis(carboxylatomethyl)amino]ethyl})amino]acetate hydrate |
| InChI Key | AWBWYUNJDQLQGT-UHFFFAOYSA-I |
| Molecular Formula | C14H20CaN3Na3O11 |
Methyl 1,2,3,4-Tetra-O-acetyl-beta-D-glucuronate 96.0+%, TCI America™
CAS: 7355-18-2 Molecular Formula: C15H20O11 Molecular Weight (g/mol): 376.314 MDL Number: MFCD00069834 InChI Key: DPOQCELSZBSZGX-XOBFJNJYSA-N Synonym: 2s,3r,4s,5s,6s-6-methoxycarbonyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,methyl o-tetraacetyl-beta-d-glucopyranuronate,methyl 1,2,3,4-tetra-o-acetyl-beta-d-glucuronate,methyl 1,2,3,4-tetra-o-acetyl-beta-d-glucopyranuronate,methyl 2s,3s,4s,5r,6s-3,4,5,6-tetrakis acetyloxy oxane-2-carboxylate,1,2,3,4-tetra-o-acetyl-beta-d-glucopyranuronic acid methyl ester,methyl 1,2,3,4-tetra-o-acetyl-,a-d-glucopyranuronate,beta-d-glucopyranuronic acid, methyl ester, tetraacetate,methyl 1,2,3,4-tetra-o-acetyl-d-glucuronate,1,2,3,4-tetra-o-acetyl-d-glucuronide methyl ester PubChem CID: 95087 IUPAC Name: methyl (2S,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxane-2-carboxylate SMILES: CC(=O)OC1C(C(OC(C1OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C
| PubChem CID | 95087 |
|---|---|
| CAS | 7355-18-2 |
| Molecular Weight (g/mol) | 376.314 |
| MDL Number | MFCD00069834 |
| SMILES | CC(=O)OC1C(C(OC(C1OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C |
| Synonym | 2s,3r,4s,5s,6s-6-methoxycarbonyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,methyl o-tetraacetyl-beta-d-glucopyranuronate,methyl 1,2,3,4-tetra-o-acetyl-beta-d-glucuronate,methyl 1,2,3,4-tetra-o-acetyl-beta-d-glucopyranuronate,methyl 2s,3s,4s,5r,6s-3,4,5,6-tetrakis acetyloxy oxane-2-carboxylate,1,2,3,4-tetra-o-acetyl-beta-d-glucopyranuronic acid methyl ester,methyl 1,2,3,4-tetra-o-acetyl-,a-d-glucopyranuronate,beta-d-glucopyranuronic acid, methyl ester, tetraacetate,methyl 1,2,3,4-tetra-o-acetyl-d-glucuronate,1,2,3,4-tetra-o-acetyl-d-glucuronide methyl ester |
| IUPAC Name | methyl (2S,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxane-2-carboxylate |
| InChI Key | DPOQCELSZBSZGX-XOBFJNJYSA-N |
| Molecular Formula | C15H20O11 |
4-Methylvaleric Acid 97.0+%, TCI America™
CAS: 646-07-1 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00002803 InChI Key: FGKJLKRYENPLQH-UHFFFAOYSA-N Synonym: 4-methylvaleric acid,isocaproic acid,isohexanoic acid,pentanoic acid, 4-methyl,isobutylacetic acid,4-methyl-pentanoic acid,valeric acid, 4-methyl,4-methyl valeric acid,isocaproate,4,4-dimethylbutanoic acid PubChem CID: 12587 ChEBI: CHEBI:74903 IUPAC Name: 4-methylpentanoic acid SMILES: CC(C)CCC(=O)O
| PubChem CID | 12587 |
|---|---|
| CAS | 646-07-1 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:74903 |
| MDL Number | MFCD00002803 |
| SMILES | CC(C)CCC(=O)O |
| Synonym | 4-methylvaleric acid,isocaproic acid,isohexanoic acid,pentanoic acid, 4-methyl,isobutylacetic acid,4-methyl-pentanoic acid,valeric acid, 4-methyl,4-methyl valeric acid,isocaproate,4,4-dimethylbutanoic acid |
| IUPAC Name | 4-methylpentanoic acid |
| InChI Key | FGKJLKRYENPLQH-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |