Organoheterocyclic compounds
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4-pyridin-3-ylaniline, Thermo Scientific™
CAS: 82261-42-5 Molecular Formula: C11H10N2 Molecular Weight (g/mol): 170.215 InChI Key: DKFDPLVNPGJNDE-UHFFFAOYSA-N Synonym: 4-3-pyridyl aniline,4-pyridin-3-yl aniline,4-pyridin-3-yl-phenylamine,4-3-pyridinyl aniline,3-4-aminophenyl pyridine,benzenamine, 4-3-pyridinyl,2-pyridyl-4-aniline,4-pyridin-3-yl-phenylamine 2hcl salt,4-3-pyridyl phenylamine,3-p-aminophenyl pyridine PubChem CID: 459522 IUPAC Name: 4-pyridin-3-ylaniline SMILES: C1=CC(=CN=C1)C2=CC=C(C=C2)N
| PubChem CID | 459522 |
|---|---|
| CAS | 82261-42-5 |
| Molecular Weight (g/mol) | 170.215 |
| SMILES | C1=CC(=CN=C1)C2=CC=C(C=C2)N |
| Synonym | 4-3-pyridyl aniline,4-pyridin-3-yl aniline,4-pyridin-3-yl-phenylamine,4-3-pyridinyl aniline,3-4-aminophenyl pyridine,benzenamine, 4-3-pyridinyl,2-pyridyl-4-aniline,4-pyridin-3-yl-phenylamine 2hcl salt,4-3-pyridyl phenylamine,3-p-aminophenyl pyridine |
| IUPAC Name | 4-pyridin-3-ylaniline |
| InChI Key | DKFDPLVNPGJNDE-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2 |
5-Amino-2-bromo-3-fluoropyridine, 97%, Thermo Scientific™
CAS: 1256276-41-1 Molecular Formula: C5H4BrFN2 Molecular Weight (g/mol): 191.003 MDL Number: MFCD21099397 InChI Key: DDJLNVAJTGIWNJ-UHFFFAOYSA-N Synonym: 5-amino-2-bromo-3-fluoropyridine,3-pyridinamine, 6-bromo-5-fluoro PubChem CID: 71741382 IUPAC Name: 6-bromo-5-fluoropyridin-3-amine SMILES: C1=C(C=NC(=C1F)Br)N
| PubChem CID | 71741382 |
|---|---|
| CAS | 1256276-41-1 |
| Molecular Weight (g/mol) | 191.003 |
| MDL Number | MFCD21099397 |
| SMILES | C1=C(C=NC(=C1F)Br)N |
| Synonym | 5-amino-2-bromo-3-fluoropyridine,3-pyridinamine, 6-bromo-5-fluoro |
| IUPAC Name | 6-bromo-5-fluoropyridin-3-amine |
| InChI Key | DDJLNVAJTGIWNJ-UHFFFAOYSA-N |
| Molecular Formula | C5H4BrFN2 |
5-(2-Phenyleth-1-ynyl)nicotinic acid, 97%, Thermo Scientific™
CAS: 175203-69-7 Molecular Formula: C14H9NO2 Molecular Weight (g/mol): 223.231 MDL Number: MFCD00174055 InChI Key: DXJZBANECHYHRT-UHFFFAOYSA-N Synonym: 5-2-phenyleth-1-ynyl nicotinic acid,5-2-phenylethynyl pyridine-3-carboxylic acid,5-phenylethynyl pyridine-3-carboxylic acid,3-pyridinecarboxylicacid, 5-2-phenylethynyl,maybridge1_004925,5-phenylethynylnicotinic acid,5-phenylethynyl-nicotinic acid,5-phenylethynyl nicotinic acid,5-phenylethynyl-pyridine-3-carboxylic acid PubChem CID: 2779236 IUPAC Name: 5-(2-phenylethynyl)pyridine-3-carboxylic acid SMILES: C1=CC=C(C=C1)C#CC2=CC(=CN=C2)C(=O)O
| PubChem CID | 2779236 |
|---|---|
| CAS | 175203-69-7 |
| Molecular Weight (g/mol) | 223.231 |
| MDL Number | MFCD00174055 |
| SMILES | C1=CC=C(C=C1)C#CC2=CC(=CN=C2)C(=O)O |
| Synonym | 5-2-phenyleth-1-ynyl nicotinic acid,5-2-phenylethynyl pyridine-3-carboxylic acid,5-phenylethynyl pyridine-3-carboxylic acid,3-pyridinecarboxylicacid, 5-2-phenylethynyl,maybridge1_004925,5-phenylethynylnicotinic acid,5-phenylethynyl-nicotinic acid,5-phenylethynyl nicotinic acid,5-phenylethynyl-pyridine-3-carboxylic acid |
| IUPAC Name | 5-(2-phenylethynyl)pyridine-3-carboxylic acid |
| InChI Key | DXJZBANECHYHRT-UHFFFAOYSA-N |
| Molecular Formula | C14H9NO2 |
Methyl Nicotinate, Reagent, 99%, Spectrum™ Chemical
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CAS: 93-60-7 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 InChI Key: YNBADRVTZLEFNH-UHFFFAOYSA-N IUPAC Name: methyl pyridine-3-carboxylate SMILES: COC(=O)C1=CC=CN=C1
| CAS | 93-60-7 |
|---|---|
| Molecular Weight (g/mol) | 137.14 |
| SMILES | COC(=O)C1=CC=CN=C1 |
| IUPAC Name | methyl pyridine-3-carboxylate |
| InChI Key | YNBADRVTZLEFNH-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
2-Chloro-5-(chloromethyl)pyridine, 96%
CAS: 70258-18-3 Molecular Formula: C6H5Cl2N Molecular Weight (g/mol): 162.013 MDL Number: MFCD00125366 InChI Key: SKCNYHLTRZIINA-UHFFFAOYSA-N Synonym: 2-chloro-5-chloromethyl pyridine,pyridine, 2-chloro-5-chloromethyl,2-chloro-5-chloromethyl-pyridine,pubchem9210,acmc-1bl9y,ksc377c3b,2-chloro-5chloromethylpyridine,2-chloro-5-chloromethypyridine,5-chloromethyl-2-chloropyridine,6-chloro-3-chloromethylpyridine PubChem CID: 155479 IUPAC Name: 2-chloro-5-(chloromethyl)pyridine SMILES: C1=CC(=NC=C1CCl)Cl
| PubChem CID | 155479 |
|---|---|
| CAS | 70258-18-3 |
| Molecular Weight (g/mol) | 162.013 |
| MDL Number | MFCD00125366 |
| SMILES | C1=CC(=NC=C1CCl)Cl |
| Synonym | 2-chloro-5-chloromethyl pyridine,pyridine, 2-chloro-5-chloromethyl,2-chloro-5-chloromethyl-pyridine,pubchem9210,acmc-1bl9y,ksc377c3b,2-chloro-5chloromethylpyridine,2-chloro-5-chloromethypyridine,5-chloromethyl-2-chloropyridine,6-chloro-3-chloromethylpyridine |
| IUPAC Name | 2-chloro-5-(chloromethyl)pyridine |
| InChI Key | SKCNYHLTRZIINA-UHFFFAOYSA-N |
| Molecular Formula | C6H5Cl2N |
3-Methylpyridine-4-boronic acid pinacol ester, 95%
CAS: 1032358-00-1 Molecular Formula: C12H18BNO2 Molecular Weight (g/mol): 219.091 MDL Number: MFCD07374972 InChI Key: MMCGEOWPLNVYGO-UHFFFAOYSA-N Synonym: 3-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,3-methylpyridine-4-boronic acid pinacol ester,3-methyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,pyridine, 3-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,3-methylpyridin-4-ylboronic acid pinacol ester,2-3-methyl-4-pyridinyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,3-methyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-pyridine,3-methyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyridine PubChem CID: 45588135 IUPAC Name: 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=NC=C2)C
| PubChem CID | 45588135 |
|---|---|
| CAS | 1032358-00-1 |
| Molecular Weight (g/mol) | 219.091 |
| MDL Number | MFCD07374972 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=C(C=NC=C2)C |
| Synonym | 3-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,3-methylpyridine-4-boronic acid pinacol ester,3-methyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,pyridine, 3-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,3-methylpyridin-4-ylboronic acid pinacol ester,2-3-methyl-4-pyridinyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,3-methyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-pyridine,3-methyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyridine |
| IUPAC Name | 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
| InChI Key | MMCGEOWPLNVYGO-UHFFFAOYSA-N |
| Molecular Formula | C12H18BNO2 |
Methyle2,6-dichloroisonicotinate, 97%, Thermo Scientific™
CAS: 42521-09-5 Molecular Formula: C7H5Cl2NO2 Molecular Weight (g/mol): 206.02 MDL Number: MFCD00044409 InChI Key: XSKGHSUHOYEBTK-UHFFFAOYSA-N PubChem CID: 93237 IUPAC Name: methyl 2,6-dichloropyridine-4-carboxylate SMILES: COC(=O)C1=CC(Cl)=NC(Cl)=C1
| PubChem CID | 93237 |
|---|---|
| CAS | 42521-09-5 |
| Molecular Weight (g/mol) | 206.02 |
| MDL Number | MFCD00044409 |
| SMILES | COC(=O)C1=CC(Cl)=NC(Cl)=C1 |
| IUPAC Name | methyl 2,6-dichloropyridine-4-carboxylate |
| InChI Key | XSKGHSUHOYEBTK-UHFFFAOYSA-N |
| Molecular Formula | C7H5Cl2NO2 |
Benzo[b]thiophene-2-carbohydrazide, 97%, Thermo Scientific™
CAS: 175135-07-6 Molecular Formula: C9H8N2OS Molecular Weight (g/mol): 192.24 MDL Number: MFCD00052501 InChI Key: ZXKPFIRPUUAAPQ-UHFFFAOYSA-N Synonym: benzo b thiophene-2-carbohydrazide,benzo b thiophene-2-carboxylic hydrazide,thianaphthene-2-carboxylic hydrazide,benzo b thiophene-2-carboxylicacid, hydrazide,maybridge1_008989,acmc-1c3go,#,benzo b thiophene-2-carboxylic acid hydrazide PubChem CID: 519437 IUPAC Name: 1-benzothiophene-2-carbohydrazide SMILES: NNC(=O)C1=CC2=CC=CC=C2S1
| PubChem CID | 519437 |
|---|---|
| CAS | 175135-07-6 |
| Molecular Weight (g/mol) | 192.24 |
| MDL Number | MFCD00052501 |
| SMILES | NNC(=O)C1=CC2=CC=CC=C2S1 |
| Synonym | benzo b thiophene-2-carbohydrazide,benzo b thiophene-2-carboxylic hydrazide,thianaphthene-2-carboxylic hydrazide,benzo b thiophene-2-carboxylicacid, hydrazide,maybridge1_008989,acmc-1c3go,#,benzo b thiophene-2-carboxylic acid hydrazide |
| IUPAC Name | 1-benzothiophene-2-carbohydrazide |
| InChI Key | ZXKPFIRPUUAAPQ-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2OS |
2-methyl-1,3-oxazole-4-carbaldehyde, Thermo Scientific™
CAS: 113732-84-6 Molecular Formula: C5H5NO2 Molecular Weight (g/mol): 111.1 InChI Key: ARAUEWKXKTYCHZ-UHFFFAOYSA-N Synonym: 2-methyloxazole-4-carbaldehyde,2-methyl-oxazole-4-carbaldehyde,2-methyloxazole-4-carboxaldehyde,2-methyl-4-formyloxazole,4-oxazolecarboxaldehyde, 2-methyl,4-formyl-2-methyl-1,3-oxazole,2-methyl-1,3-oxazole-4-carboxaldehyde,acmc-20ai0d,2-methyl-4-oxazolecarbaldehyde PubChem CID: 11073372 IUPAC Name: 2-methyl-1,3-oxazole-4-carbaldehyde SMILES: CC1=NC(=CO1)C=O
| PubChem CID | 11073372 |
|---|---|
| CAS | 113732-84-6 |
| Molecular Weight (g/mol) | 111.1 |
| SMILES | CC1=NC(=CO1)C=O |
| Synonym | 2-methyloxazole-4-carbaldehyde,2-methyl-oxazole-4-carbaldehyde,2-methyloxazole-4-carboxaldehyde,2-methyl-4-formyloxazole,4-oxazolecarboxaldehyde, 2-methyl,4-formyl-2-methyl-1,3-oxazole,2-methyl-1,3-oxazole-4-carboxaldehyde,acmc-20ai0d,2-methyl-4-oxazolecarbaldehyde |
| IUPAC Name | 2-methyl-1,3-oxazole-4-carbaldehyde |
| InChI Key | ARAUEWKXKTYCHZ-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO2 |
4-Methyl-1,3-oxazole-5-carboxylic acid, 95%, Thermo Scientific™
CAS: 2510-32-9 Molecular Formula: C5H5NO3 Molecular Weight (g/mol): 127.099 InChI Key: ZIXUNDOOBLSXPE-UHFFFAOYSA-N Synonym: 4-methyloxazole-5-carboxylic acid,4-methyl-5-oxazolecarboxylic acid,5-oxazolecarboxylic acid, 4-methyl,4-methyl-oxazole-5-carboxylic acid,ksc205g3h,4-methyl-5-oxazolecarboxylicacid,4-methyl-oxazol-5-carboxylic acid,4-methoxyoxazole-5-carboxylic acid,5-oxazolecarboxylicacid, 4-methyl PubChem CID: 292311 IUPAC Name: 4-methyl-1,3-oxazole-5-carboxylic acid SMILES: CC1=C(OC=N1)C(=O)O
| PubChem CID | 292311 |
|---|---|
| CAS | 2510-32-9 |
| Molecular Weight (g/mol) | 127.099 |
| SMILES | CC1=C(OC=N1)C(=O)O |
| Synonym | 4-methyloxazole-5-carboxylic acid,4-methyl-5-oxazolecarboxylic acid,5-oxazolecarboxylic acid, 4-methyl,4-methyl-oxazole-5-carboxylic acid,ksc205g3h,4-methyl-5-oxazolecarboxylicacid,4-methyl-oxazol-5-carboxylic acid,4-methoxyoxazole-5-carboxylic acid,5-oxazolecarboxylicacid, 4-methyl |
| IUPAC Name | 4-methyl-1,3-oxazole-5-carboxylic acid |
| InChI Key | ZIXUNDOOBLSXPE-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO3 |
3,9-Bis(1,1-dimethyl-2-hydroxyethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane, 97%, Thermo Scientific Chemicals
CAS: 1455-42-1 Molecular Formula: C15H28O6 Molecular Weight (g/mol): 304.383 MDL Number: MFCD00059794 InChI Key: BPZIYBJCZRUDEG-UHFFFAOYSA-N Synonym: 2,2'-2,4,8,10-tetraoxaspiro 5.5 undecane-3,9-diyl bis 2-methylpropan-1-ol,3,9-bis 1,1-dimethyl-2-hydroxyethyl-2,4,8,10-tetraoxaspiro 5.5 undecane,cyclic acetal,2-9-1-hydroxy-2-methylpropan-2-yl-2,4,8,10-tetraoxaspiro 5.5 undecan-3-yl-2-methylpropan-1-ol,acmc-209cve,ksc489m7h,2,4,8,10-tetraoxaspiro 5.5 undecane-3,9-diethanol, beta3,beta3,beta9,beta9-tetramethyl,bis hydroxypivalaldehyde pentaerythritolacetal,bis hydroxypivalaldehyde pentaerythritolacetal cyclic acetal,bis hydroxypivalaldehyde pentaerythritol acetal cyclic acetal PubChem CID: 7569008 IUPAC Name: 2-[3-(1-hydroxy-2-methylpropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol SMILES: CC(C)(CO)C1OCC2(CO1)COC(OC2)C(C)(C)CO
| PubChem CID | 7569008 |
|---|---|
| CAS | 1455-42-1 |
| Molecular Weight (g/mol) | 304.383 |
| MDL Number | MFCD00059794 |
| SMILES | CC(C)(CO)C1OCC2(CO1)COC(OC2)C(C)(C)CO |
| Synonym | 2,2'-2,4,8,10-tetraoxaspiro 5.5 undecane-3,9-diyl bis 2-methylpropan-1-ol,3,9-bis 1,1-dimethyl-2-hydroxyethyl-2,4,8,10-tetraoxaspiro 5.5 undecane,cyclic acetal,2-9-1-hydroxy-2-methylpropan-2-yl-2,4,8,10-tetraoxaspiro 5.5 undecan-3-yl-2-methylpropan-1-ol,acmc-209cve,ksc489m7h,2,4,8,10-tetraoxaspiro 5.5 undecane-3,9-diethanol, beta3,beta3,beta9,beta9-tetramethyl,bis hydroxypivalaldehyde pentaerythritolacetal,bis hydroxypivalaldehyde pentaerythritolacetal cyclic acetal,bis hydroxypivalaldehyde pentaerythritol acetal cyclic acetal |
| IUPAC Name | 2-[3-(1-hydroxy-2-methylpropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol |
| InChI Key | BPZIYBJCZRUDEG-UHFFFAOYSA-N |
| Molecular Formula | C15H28O6 |
Ketotifen Hydrogen Fumarate, EP, 98.5-101%, Spectrum™ Chemical
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CAS: 34580-14-8 Molecular Formula: C23H23NO5S Molecular Weight (g/mol): 425.50 InChI Key: YNQQEYBLVYAWNX-WLHGVMLRSA-N IUPAC Name: (2E)-but-2-enedioic acid; 2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one SMILES: OC(=O)\C=C\C(O)=O.CN1CCC(CC1)=C1C2=C(SC=C2)C(=O)CC2=CC=CC=C12
| CAS | 34580-14-8 |
|---|---|
| Molecular Weight (g/mol) | 425.50 |
| SMILES | OC(=O)\C=C\C(O)=O.CN1CCC(CC1)=C1C2=C(SC=C2)C(=O)CC2=CC=CC=C12 |
| IUPAC Name | (2E)-but-2-enedioic acid; 2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one |
| InChI Key | YNQQEYBLVYAWNX-WLHGVMLRSA-N |
| Molecular Formula | C23H23NO5S |
2,3-O-Isopropylidene-D-ribonic acid-1,4-lactone, 97+%
CAS: 30725-00-9 Molecular Formula: C8H12O5 Molecular Weight (g/mol): 188.18 MDL Number: MFCD00080793 InChI Key: NHHKFJCWLPPNCN-UHFFFAOYNA-N Synonym: 3ar,6r,6ar-6-hydroxymethyl-2,2-dimethyldihydrofuro 3,4-d 1,3 dioxol-4 3ah-one,2,3-o-isopropylidene-d-ribonic gamma-lactone,2,3-o-isopropylidene-d-ribono-1,4-lactone,2,3-isopropylidene-d-ribonolactone,3ar,6r,6ar-6-hydroxymethyl-2,2-dimethyl-dihydro-3ah-furo 3,4-d 1,3 dioxol-4-one,d-2,3-isopropylidene lyxono-1,4-lactone,pubchem10728,nhhkfjcwlppncn-hsuxutppsa,2,3-o-isopropylidene-d-ribonic,a-lactone,2,3-o-isopropylidene-d-ribonic-gama-lactone PubChem CID: 1268067 IUPAC Name: 6-(hydroxymethyl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-one SMILES: CC1(C)OC2C(CO)OC(=O)C2O1
| PubChem CID | 1268067 |
|---|---|
| CAS | 30725-00-9 |
| Molecular Weight (g/mol) | 188.18 |
| MDL Number | MFCD00080793 |
| SMILES | CC1(C)OC2C(CO)OC(=O)C2O1 |
| Synonym | 3ar,6r,6ar-6-hydroxymethyl-2,2-dimethyldihydrofuro 3,4-d 1,3 dioxol-4 3ah-one,2,3-o-isopropylidene-d-ribonic gamma-lactone,2,3-o-isopropylidene-d-ribono-1,4-lactone,2,3-isopropylidene-d-ribonolactone,3ar,6r,6ar-6-hydroxymethyl-2,2-dimethyl-dihydro-3ah-furo 3,4-d 1,3 dioxol-4-one,d-2,3-isopropylidene lyxono-1,4-lactone,pubchem10728,nhhkfjcwlppncn-hsuxutppsa,2,3-o-isopropylidene-d-ribonic,a-lactone,2,3-o-isopropylidene-d-ribonic-gama-lactone |
| IUPAC Name | 6-(hydroxymethyl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-one |
| InChI Key | NHHKFJCWLPPNCN-UHFFFAOYNA-N |
| Molecular Formula | C8H12O5 |
alpha-Bromo-gamma-butyrolactone, 97%
CAS: 5061-21-2 Molecular Formula: C4H5BrO2 Molecular Weight (g/mol): 164.99 MDL Number: MFCD00005387 InChI Key: LFJJGHGXHXXDFT-UHFFFAOYNA-N Synonym: 2-bromo-4-butanolide,alpha-bromo-gamma-butyrolactone,2-bromobutyrolactone,3-bromodihydrofuran-2 3h-one,2 3h-furanone, 3-bromodihydro,3-bromo-2-furanone,bromobutyrolactone,2 3h-furanone, bromodihydro,.alpha.-bromo-.gamma.-butyrolactone,.alpha.-bromobutyrolactone PubChem CID: 95463 IUPAC Name: 3-bromooxolan-2-one SMILES: BrC1CCOC1=O
| PubChem CID | 95463 |
|---|---|
| CAS | 5061-21-2 |
| Molecular Weight (g/mol) | 164.99 |
| MDL Number | MFCD00005387 |
| SMILES | BrC1CCOC1=O |
| Synonym | 2-bromo-4-butanolide,alpha-bromo-gamma-butyrolactone,2-bromobutyrolactone,3-bromodihydrofuran-2 3h-one,2 3h-furanone, 3-bromodihydro,3-bromo-2-furanone,bromobutyrolactone,2 3h-furanone, bromodihydro,.alpha.-bromo-.gamma.-butyrolactone,.alpha.-bromobutyrolactone |
| IUPAC Name | 3-bromooxolan-2-one |
| InChI Key | LFJJGHGXHXXDFT-UHFFFAOYNA-N |
| Molecular Formula | C4H5BrO2 |
delta-Valerolactone, 98%, may contain polymer
CAS: 542-28-9 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00006645 InChI Key: OZJPLYNZGCXSJM-UHFFFAOYSA-N Synonym: delta-valerolactone,tetrahydro-2h-pyran-2-one,5-valerolactone,2h-pyran-2-one, tetrahydro,tetrahydropyran-2-one,tetrahydro-2-pyranone,penta-1,5-lactone,.delta.-valerolactone,.delta.-valeryllactone,tetrahydro-pyran-2-one PubChem CID: 10953 ChEBI: CHEBI:16545 IUPAC Name: oxan-2-one SMILES: O=C1CCCCO1
| PubChem CID | 10953 |
|---|---|
| CAS | 542-28-9 |
| Molecular Weight (g/mol) | 100.12 |
| ChEBI | CHEBI:16545 |
| MDL Number | MFCD00006645 |
| SMILES | O=C1CCCCO1 |
| Synonym | delta-valerolactone,tetrahydro-2h-pyran-2-one,5-valerolactone,2h-pyran-2-one, tetrahydro,tetrahydropyran-2-one,tetrahydro-2-pyranone,penta-1,5-lactone,.delta.-valerolactone,.delta.-valeryllactone,tetrahydro-pyran-2-one |
| IUPAC Name | oxan-2-one |
| InChI Key | OZJPLYNZGCXSJM-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |