Organic acids and derivatives
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Ethyl 1-hydroxycyclopropanecarboxylate, 90%
CAS: 137682-89-4 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.14 MDL Number: MFCD01863257 InChI Key: DPMGQZGXWRHYPE-UHFFFAOYSA-N Synonym: ethyl 1-hydroxycyclopropanecarboxylate,1-hydroxycyclopropanecarboxylic acid ethyl ester,cyclopropanecarboxylic acid, 1-hydroxy-, ethyl ester,1-ethoxycarbonyl cyclopropan-1-ol,ethyl-1-hydroxycyclopropane carboxylate,1-hydroxy-cyclopropanecarboxylic acid ethyl ester PubChem CID: 2733706 IUPAC Name: ethyl 1-hydroxycyclopropane-1-carboxylate SMILES: CCOC(=O)C1(O)CC1
| PubChem CID | 2733706 |
|---|---|
| CAS | 137682-89-4 |
| Molecular Weight (g/mol) | 130.14 |
| MDL Number | MFCD01863257 |
| SMILES | CCOC(=O)C1(O)CC1 |
| Synonym | ethyl 1-hydroxycyclopropanecarboxylate,1-hydroxycyclopropanecarboxylic acid ethyl ester,cyclopropanecarboxylic acid, 1-hydroxy-, ethyl ester,1-ethoxycarbonyl cyclopropan-1-ol,ethyl-1-hydroxycyclopropane carboxylate,1-hydroxy-cyclopropanecarboxylic acid ethyl ester |
| IUPAC Name | ethyl 1-hydroxycyclopropane-1-carboxylate |
| InChI Key | DPMGQZGXWRHYPE-UHFFFAOYSA-N |
| Molecular Formula | C6H10O3 |
| CAS | 4606-07-9 |
|---|---|
| MDL Number | MFCD00001282 |
2-Hydroxyethyl acrylate, 97%, stabilized
CAS: 818-61-1 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.12 MDL Number: MFCD00002865 InChI Key: OMIGHNLMNHATMP-UHFFFAOYSA-N Synonym: 2-hydroxyethyl acrylate,hydroxyethyl acrylate,2-propenoic acid, 2-hydroxyethyl ester,ethylene glycol monoacrylate,bisomer 2hea,acrylic acid 2-hydroxyethyl ester,2-acryloyloxy ethanol,ethylene glycol, acrylate,acrylic acid, 2-hydroxyethyl ester,2-hydroxyethylacrylate PubChem CID: 13165 IUPAC Name: 2-hydroxyethyl prop-2-enoate SMILES: C=CC(=O)OCCO
| PubChem CID | 13165 |
|---|---|
| CAS | 818-61-1 |
| Molecular Weight (g/mol) | 116.12 |
| MDL Number | MFCD00002865 |
| SMILES | C=CC(=O)OCCO |
| Synonym | 2-hydroxyethyl acrylate,hydroxyethyl acrylate,2-propenoic acid, 2-hydroxyethyl ester,ethylene glycol monoacrylate,bisomer 2hea,acrylic acid 2-hydroxyethyl ester,2-acryloyloxy ethanol,ethylene glycol, acrylate,acrylic acid, 2-hydroxyethyl ester,2-hydroxyethylacrylate |
| IUPAC Name | 2-hydroxyethyl prop-2-enoate |
| InChI Key | OMIGHNLMNHATMP-UHFFFAOYSA-N |
| Molecular Formula | C5H8O3 |
Tetrahydrofurfuryl acrylate, tech. 90%, stab.
CAS: 2399-48-6 Molecular Formula: C8H12O3 Molecular Weight (g/mol): 156.181 MDL Number: MFCD00014516 InChI Key: YNXCGLKMOXLBOD-UHFFFAOYSA-N Synonym: tetrahydrofurfuryl acrylate,acrylic acid, tetrahydrofurfuryl ester,2-propenoic acid, tetrahydro-2-furanyl methyl ester,sartomer 285,sartomer 302,viscoat 150,kayarad tc 101,light acrylate thf-a,thf-a,2-propenoic acid, tetrahydrofurfuryl ester PubChem CID: 94232 IUPAC Name: oxolan-2-ylmethyl prop-2-enoate SMILES: C=CC(=O)OCC1CCCO1
| PubChem CID | 94232 |
|---|---|
| CAS | 2399-48-6 |
| Molecular Weight (g/mol) | 156.181 |
| MDL Number | MFCD00014516 |
| SMILES | C=CC(=O)OCC1CCCO1 |
| Synonym | tetrahydrofurfuryl acrylate,acrylic acid, tetrahydrofurfuryl ester,2-propenoic acid, tetrahydro-2-furanyl methyl ester,sartomer 285,sartomer 302,viscoat 150,kayarad tc 101,light acrylate thf-a,thf-a,2-propenoic acid, tetrahydrofurfuryl ester |
| IUPAC Name | oxolan-2-ylmethyl prop-2-enoate |
| InChI Key | YNXCGLKMOXLBOD-UHFFFAOYSA-N |
| Molecular Formula | C8H12O3 |
| CAS | 79-10-7 |
|---|
| CAS | 9003-04-7 |
|---|
1,4-Butanediol diacrylate, 85+%, stab. with 50-105 ppm hydroquinone
CAS: 1070-70-8 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00014940 InChI Key: JHWGFJBTMHEZME-UHFFFAOYSA-N Synonym: 1,4-butanediol diacrylate,butylene diacrylate,butanediol diacrylate,tetramethylene glycol diacrylate,1,4-butylene glycol diacrylate,tetramethylene acrylate,tetramethylene diacrylate,1,4-butylene diacrylate,1,4-butanediyl diacrylate,1,4-butanediyl bisacrylate PubChem CID: 70613 SMILES: C=CC(=O)OCCCCOC(=O)C=C
| PubChem CID | 70613 |
|---|---|
| CAS | 1070-70-8 |
| Molecular Weight (g/mol) | 198.22 |
| MDL Number | MFCD00014940 |
| SMILES | C=CC(=O)OCCCCOC(=O)C=C |
| Synonym | 1,4-butanediol diacrylate,butylene diacrylate,butanediol diacrylate,tetramethylene glycol diacrylate,1,4-butylene glycol diacrylate,tetramethylene acrylate,tetramethylene diacrylate,1,4-butylene diacrylate,1,4-butanediyl diacrylate,1,4-butanediyl bisacrylate |
| InChI Key | JHWGFJBTMHEZME-UHFFFAOYSA-N |
| Molecular Formula | C10H14O4 |
Cyclohexyl acrylate, 98+%, stab. with 100ppm 4-methoxyphenol, Thermo Scientific Chemicals
CAS: 3066-71-5 Molecular Formula: C9H14O2 Molecular Weight (g/mol): 154.21 MDL Number: MFCD00046349 InChI Key: KBLWLMPSVYBVDK-UHFFFAOYSA-N Synonym: cyclohexyl acrylate,2-propenoic acid, cyclohexyl ester,sartomer sr 220,acrylic acid, cyclohexyl ester,acrylic acid cyclohexyl ester,cyclohexylacrylate,acrylic acid cyclohexyl,acmc-209slu,wln: l6tj aov1u1,4-06-00-00038 beilstein handbook reference PubChem CID: 18298 IUPAC Name: cyclohexyl prop-2-enoate SMILES: C=CC(=O)OC1CCCCC1
| PubChem CID | 18298 |
|---|---|
| CAS | 3066-71-5 |
| Molecular Weight (g/mol) | 154.21 |
| MDL Number | MFCD00046349 |
| SMILES | C=CC(=O)OC1CCCCC1 |
| Synonym | cyclohexyl acrylate,2-propenoic acid, cyclohexyl ester,sartomer sr 220,acrylic acid, cyclohexyl ester,acrylic acid cyclohexyl ester,cyclohexylacrylate,acrylic acid cyclohexyl,acmc-209slu,wln: l6tj aov1u1,4-06-00-00038 beilstein handbook reference |
| IUPAC Name | cyclohexyl prop-2-enoate |
| InChI Key | KBLWLMPSVYBVDK-UHFFFAOYSA-N |
| Molecular Formula | C9H14O2 |
tert-Butyl acrylate, 99%, stab. with 15ppm 4-methoxyphenol
CAS: 1663-39-4 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00008809 InChI Key: ISXSCDLOGDJUNJ-UHFFFAOYSA-N Synonym: tert-butyl acrylate,t-butyl acrylate,tert-butyl propenoate,2-propenoic acid, 1,1-dimethylethyl ester,acrylic acid tert-butyl ester,tert-butylacrylate,acrylic acid, tert-butyl ester,unii-92m2cd1o3g,ccris 7035,2-propenoic acid tert-butyl ester PubChem CID: 15458 IUPAC Name: tert-butyl prop-2-enoate SMILES: CC(C)(C)OC(=O)C=C
| PubChem CID | 15458 |
|---|---|
| CAS | 1663-39-4 |
| Molecular Weight (g/mol) | 128.17 |
| MDL Number | MFCD00008809 |
| SMILES | CC(C)(C)OC(=O)C=C |
| Synonym | tert-butyl acrylate,t-butyl acrylate,tert-butyl propenoate,2-propenoic acid, 1,1-dimethylethyl ester,acrylic acid tert-butyl ester,tert-butylacrylate,acrylic acid, tert-butyl ester,unii-92m2cd1o3g,ccris 7035,2-propenoic acid tert-butyl ester |
| IUPAC Name | tert-butyl prop-2-enoate |
| InChI Key | ISXSCDLOGDJUNJ-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
Ethyl benzimidate hydrochloride, 97%
CAS: 5333-86-8 Molecular Formula: C9H12ClNO Molecular Weight (g/mol): 185.65 MDL Number: MFCD00043246 InChI Key: MODZVIMSNXSQIH-UHFFFAOYSA-N Synonym: ethyl benzimidate hydrochloride,benzenecarboximidic acid, ethyl ester, hydrochloride,ethyl benzenecarboximidate hydrochloride,benzimidic acid ethyl ester hcl,ethylbenzimidate hydrochloride,ethyl benzimidate hcl,ethyl benzylimidate hydrochloride,ethyl iminobenzoate hydrochloride,benzimido ethyl ether hydrochloride,benzimidoyl ethyl ether hydrochloride PubChem CID: 79249 IUPAC Name: ethyl benzenecarboximidate;hydrochloride SMILES: [H+].[Cl-].CCOC(=N)C1=CC=CC=C1
| PubChem CID | 79249 |
|---|---|
| CAS | 5333-86-8 |
| Molecular Weight (g/mol) | 185.65 |
| MDL Number | MFCD00043246 |
| SMILES | [H+].[Cl-].CCOC(=N)C1=CC=CC=C1 |
| Synonym | ethyl benzimidate hydrochloride,benzenecarboximidic acid, ethyl ester, hydrochloride,ethyl benzenecarboximidate hydrochloride,benzimidic acid ethyl ester hcl,ethylbenzimidate hydrochloride,ethyl benzimidate hcl,ethyl benzylimidate hydrochloride,ethyl iminobenzoate hydrochloride,benzimido ethyl ether hydrochloride,benzimidoyl ethyl ether hydrochloride |
| IUPAC Name | ethyl benzenecarboximidate;hydrochloride |
| InChI Key | MODZVIMSNXSQIH-UHFFFAOYSA-N |
| Molecular Formula | C9H12ClNO |
Capecitabine, 99%
CAS: 154361-50-9 Molecular Formula: C15H22FN3O6 Molecular Weight (g/mol): 359.35 InChI Key: GAGWJHPBXLXJQN-UORFTKCHSA-N Synonym: capecitabine,xeloda,capiibine,capecitibine,caxeta,xabine,capecitabine usan,capecitabina,capecitabinum,capecitabin PubChem CID: 60953 ChEBI: CHEBI:31348 IUPAC Name: pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate SMILES: CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)O)O
| PubChem CID | 60953 |
|---|---|
| CAS | 154361-50-9 |
| Molecular Weight (g/mol) | 359.35 |
| ChEBI | CHEBI:31348 |
| SMILES | CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)O)O |
| Synonym | capecitabine,xeloda,capiibine,capecitibine,caxeta,xabine,capecitabine usan,capecitabina,capecitabinum,capecitabin |
| IUPAC Name | pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate |
| InChI Key | GAGWJHPBXLXJQN-UORFTKCHSA-N |
| Molecular Formula | C15H22FN3O6 |
O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium hexafluorophosphate, 98%, Thermo Scientific™
CAS: 105379-24-6 Molecular Formula: C15H20N5O·F6P Molecular Weight (g/mol): 431.32 InChI Key: XKTRAGMCMJYRRN-UHFFFAOYSA-N Synonym: hbpyu,benzotriazol-1-yloxy dipyrrolidinocarbenium hexafluorophosphate,1h-benzo d 1,2,3 triazol-1-yl di pyrrolidin-1-yl methylene oxonium hexafluorophosphate v,o-benzotriazol-1-yl-n,n,n',n'-bis tetramethylene uronium hexafluorophosphate,hbpyu, o-benzotriazol-1-yl-n,n,n',n'-bis tetramethylene uronium hexafluorophosphate,1-pyrrolidin-1-ium-1-ylidene pyrrolidin-1-yl methoxy benzotriazole hexafluorophosphate,1-1,2,3-benzotriazol-1-yloxy pyrrolidin-1-yl methylidene-1??-pyrrolidin-1-ylium hexafluorophosphate,benzotriazol-1-yloxy dipyrrolidinocarbenium hexaf,1,2,3-benzotriazol-1-yloxy bis pyrrolidin-1-yl methylium hexafluorophosphate,1-1-pyrrolidin-1-iumylidene 1-pyrrolidinyl methoxy benzotriazole hexafluorophosphate PubChem CID: 13685355 IUPAC Name: 1-[pyrrolidin-1-ium-1-ylidene(pyrrolidin-1-yl)methoxy]benzotriazole;hexafluorophosphate SMILES: C1CCN(C1)C(=[N+]2CCCC2)ON3C4=CC=CC=C4N=N3.F[P-](F)(F)(F)(F)F
| PubChem CID | 13685355 |
|---|---|
| CAS | 105379-24-6 |
| Molecular Weight (g/mol) | 431.32 |
| SMILES | C1CCN(C1)C(=[N+]2CCCC2)ON3C4=CC=CC=C4N=N3.F[P-](F)(F)(F)(F)F |
| Synonym | hbpyu,benzotriazol-1-yloxy dipyrrolidinocarbenium hexafluorophosphate,1h-benzo d 1,2,3 triazol-1-yl di pyrrolidin-1-yl methylene oxonium hexafluorophosphate v,o-benzotriazol-1-yl-n,n,n',n'-bis tetramethylene uronium hexafluorophosphate,hbpyu, o-benzotriazol-1-yl-n,n,n',n'-bis tetramethylene uronium hexafluorophosphate,1-pyrrolidin-1-ium-1-ylidene pyrrolidin-1-yl methoxy benzotriazole hexafluorophosphate,1-1,2,3-benzotriazol-1-yloxy pyrrolidin-1-yl methylidene-1??-pyrrolidin-1-ylium hexafluorophosphate,benzotriazol-1-yloxy dipyrrolidinocarbenium hexaf,1,2,3-benzotriazol-1-yloxy bis pyrrolidin-1-yl methylium hexafluorophosphate,1-1-pyrrolidin-1-iumylidene 1-pyrrolidinyl methoxy benzotriazole hexafluorophosphate |
| IUPAC Name | 1-[pyrrolidin-1-ium-1-ylidene(pyrrolidin-1-yl)methoxy]benzotriazole;hexafluorophosphate |
| InChI Key | XKTRAGMCMJYRRN-UHFFFAOYSA-N |
| Molecular Formula | C15H20N5O·F6P |
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 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 |
O-[(Ethoxycarbonyl)cyanomethylenamino]-N,N,N',N'-tetramethyluronium tetrafluoroborate, 97%
CAS: 136849-72-4 Molecular Formula: C10H17BF4N4O3 Molecular Weight (g/mol): 328.07 MDL Number: MFCD00192127 MFCD00192127 InChI Key: FPQVGDGSRVMNMR-UHFFFAOYSA-N Synonym: totu,o-cyano ethoxycarbonyl methylenamino-1,1,3,3-tetramethyluronium tetrafluoroborate,o-ethoxycarbonyl cyanomethylenamino n,n,n',n'-tetramethyluronium tetrafluoroborate,o-ethoxycarbonyl cyanomethylenamino-n,n,n',n'-tetra methyluronium tetrafluoroborate,o-ethoxycarbonyl cyanomethyleneamino-n,n,n',n'-tetramethyluronium bf4,e-2-1-cyano-2-ethoxy-2-oxoethylideneamino-1,1,3,3-tetramethyluronium tetrafluoroborate,o-ethoxycarbonyl cyanomethylenamino-n,n,n'n'-tetramethyluronium tetrafluoroborate,o-ethoxycarbonyl cyanomethyleneamino-n,n,n',n'-tetramethyl uronium tetrafluoroborate,o-ethoxycarboxyl cyanomethyleneamino-n,n,n',n'-tetramethyluronium tetrafluoroborate PubChem CID: 9601231 IUPAC Name: [[(E)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-(dimethylamino)methylidene]-dimethylazanium;tetrafluoroborate SMILES: F[B-](F)(F)F.CCOC(=O)C(=NOC(N(C)C)=[N+](C)C)C#N
| PubChem CID | 9601231 |
|---|---|
| CAS | 136849-72-4 |
| Molecular Weight (g/mol) | 328.07 |
| MDL Number | MFCD00192127 MFCD00192127 |
| SMILES | F[B-](F)(F)F.CCOC(=O)C(=NOC(N(C)C)=[N+](C)C)C#N |
| Synonym | totu,o-cyano ethoxycarbonyl methylenamino-1,1,3,3-tetramethyluronium tetrafluoroborate,o-ethoxycarbonyl cyanomethylenamino n,n,n',n'-tetramethyluronium tetrafluoroborate,o-ethoxycarbonyl cyanomethylenamino-n,n,n',n'-tetra methyluronium tetrafluoroborate,o-ethoxycarbonyl cyanomethyleneamino-n,n,n',n'-tetramethyluronium bf4,e-2-1-cyano-2-ethoxy-2-oxoethylideneamino-1,1,3,3-tetramethyluronium tetrafluoroborate,o-ethoxycarbonyl cyanomethylenamino-n,n,n'n'-tetramethyluronium tetrafluoroborate,o-ethoxycarbonyl cyanomethyleneamino-n,n,n',n'-tetramethyl uronium tetrafluoroborate,o-ethoxycarboxyl cyanomethyleneamino-n,n,n',n'-tetramethyluronium tetrafluoroborate |
| IUPAC Name | [[(E)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-(dimethylamino)methylidene]-dimethylazanium;tetrafluoroborate |
| InChI Key | FPQVGDGSRVMNMR-UHFFFAOYSA-N |
| Molecular Formula | C10H17BF4N4O3 |