Organoheterocyclic compounds
Filtered Search Results
4-Nitro-1H-pyrazole, 97%
CAS: 2075-46-9 Molecular Formula: C3H3N3O2 Molecular Weight (g/mol): 113.08 MDL Number: MFCD00159626 InChI Key: XORHNJQEWQGXCN-UHFFFAOYSA-N Synonym: 4-nitropyrazole,1h-pyrazole, 4-nitro,pyrazole, 4-nitro,4-nitropyrrazole,4-nitropyrazol,4-nitro-pyrazole,4-no2-pyrazole,4-nitro-1h-pyrazol,1h-pyrazole-4-nitro,pubchem14984 PubChem CID: 16376 IUPAC Name: 4-nitro-1H-pyrazole SMILES: [O-][N+](=O)C1=CNN=C1
| PubChem CID | 16376 |
|---|---|
| CAS | 2075-46-9 |
| Molecular Weight (g/mol) | 113.08 |
| MDL Number | MFCD00159626 |
| SMILES | [O-][N+](=O)C1=CNN=C1 |
| Synonym | 4-nitropyrazole,1h-pyrazole, 4-nitro,pyrazole, 4-nitro,4-nitropyrrazole,4-nitropyrazol,4-nitro-pyrazole,4-no2-pyrazole,4-nitro-1h-pyrazol,1h-pyrazole-4-nitro,pubchem14984 |
| IUPAC Name | 4-nitro-1H-pyrazole |
| InChI Key | XORHNJQEWQGXCN-UHFFFAOYSA-N |
| Molecular Formula | C3H3N3O2 |
3-Octylthiophene, 97%, Thermo Scientific Chemicals
CAS: 65016-62-8 MDL Number: MFCD00085281 InChI Key: WQYWXQCOYRZFAV-UHFFFAOYSA-N Synonym: 3-n-octylthiophene,thiophene, 3-octyl,acmc-1bfcd,3-octylthiophene,ksc491i4b,bidd:gt0691 PubChem CID: 566852 IUPAC Name: 3-octylthiophene SMILES: CCCCCCCCC1=CSC=C1
| PubChem CID | 566852 |
|---|---|
| CAS | 65016-62-8 |
| MDL Number | MFCD00085281 |
| SMILES | CCCCCCCCC1=CSC=C1 |
| Synonym | 3-n-octylthiophene,thiophene, 3-octyl,acmc-1bfcd,3-octylthiophene,ksc491i4b,bidd:gt0691 |
| IUPAC Name | 3-octylthiophene |
| InChI Key | WQYWXQCOYRZFAV-UHFFFAOYSA-N |
Methyl isonicotinate, 98%
CAS: 9-8-2459 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00006427 InChI Key: OLXYLDUSSBULGU-UHFFFAOYSA-N Synonym: methyl isonicotinate,isonicotinic acid methyl ester,4-pyridinecarboxylic acid, methyl ester,4-picolinic acid methyl ester,4-methoxycarbonylpyridine,methylisonicotinate,methyl 4-pyridinecarboxylate,4-carbomethoxypyridine,isonicotinic acid, methyl ester,i-nicotinic acid, methyl ester PubChem CID: 227085 IUPAC Name: methyl pyridine-4-carboxylate SMILES: COC(=O)C1=CC=NC=C1
| PubChem CID | 227085 |
|---|---|
| CAS | 9-8-2459 |
| Molecular Weight (g/mol) | 137.14 |
| MDL Number | MFCD00006427 |
| SMILES | COC(=O)C1=CC=NC=C1 |
| Synonym | methyl isonicotinate,isonicotinic acid methyl ester,4-pyridinecarboxylic acid, methyl ester,4-picolinic acid methyl ester,4-methoxycarbonylpyridine,methylisonicotinate,methyl 4-pyridinecarboxylate,4-carbomethoxypyridine,isonicotinic acid, methyl ester,i-nicotinic acid, methyl ester |
| IUPAC Name | methyl pyridine-4-carboxylate |
| InChI Key | OLXYLDUSSBULGU-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
1,2,4-Triazole, 99%
CAS: 288-88-0 Molecular Formula: C2H3N3 Molecular Weight (g/mol): 69.067 MDL Number: MFCD00005228 InChI Key: NSPMIYGKQJPBQR-UHFFFAOYSA-N Synonym: 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van PubChem CID: 9257 ChEBI: CHEBI:35550 IUPAC Name: 1H-1,2,4-triazole SMILES: C1=NC=NN1
| PubChem CID | 9257 |
|---|---|
| CAS | 288-88-0 |
| Molecular Weight (g/mol) | 69.067 |
| ChEBI | CHEBI:35550 |
| MDL Number | MFCD00005228 |
| SMILES | C1=NC=NN1 |
| Synonym | 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van |
| IUPAC Name | 1H-1,2,4-triazole |
| InChI Key | NSPMIYGKQJPBQR-UHFFFAOYSA-N |
| Molecular Formula | C2H3N3 |
3,5-Diphenylpyrazole, 99%
CAS: 1145-01-3 Molecular Formula: C15H12N2 Molecular Weight (g/mol): 220.28 MDL Number: MFCD00039675 InChI Key: JXHKUYQCEJILEI-UHFFFAOYSA-N Synonym: 3,5-diphenylpyrazole,1h-pyrazole, 3,5-diphenyl,pyrazole, 3,5-diphenyl,pyrazole,5-diphenyl,acmc-1bufo,1h-pyrazole,5-diphenyl,cbmicro_048085,3,5-diphenyl pyrazole,3,5-diphenyl-1h-pyrazole 5g PubChem CID: 70840 IUPAC Name: 3,5-diphenyl-1H-pyrazole SMILES: N1N=C(C=C1C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 70840 |
|---|---|
| CAS | 1145-01-3 |
| Molecular Weight (g/mol) | 220.28 |
| MDL Number | MFCD00039675 |
| SMILES | N1N=C(C=C1C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 3,5-diphenylpyrazole,1h-pyrazole, 3,5-diphenyl,pyrazole, 3,5-diphenyl,pyrazole,5-diphenyl,acmc-1bufo,1h-pyrazole,5-diphenyl,cbmicro_048085,3,5-diphenyl pyrazole,3,5-diphenyl-1h-pyrazole 5g |
| IUPAC Name | 3,5-diphenyl-1H-pyrazole |
| InChI Key | JXHKUYQCEJILEI-UHFFFAOYSA-N |
| Molecular Formula | C15H12N2 |
Guanine, 98%, Spectrum™ Chemical
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CAS: 73-40-5 Molecular Formula: C5H5N5O Molecular Weight (g/mol): 151.13 MDL Number: MFCD00071533 InChI Key: UYTPUPDQBNUYGX-UHFFFAOYSA-N IUPAC Name: 2-amino-6,7-dihydro-3H-purin-6-one SMILES: NC1=NC(=O)C2=C(N1)N=CN2
| CAS | 73-40-5 |
|---|---|
| Molecular Weight (g/mol) | 151.13 |
| MDL Number | MFCD00071533 |
| SMILES | NC1=NC(=O)C2=C(N1)N=CN2 |
| IUPAC Name | 2-amino-6,7-dihydro-3H-purin-6-one |
| InChI Key | UYTPUPDQBNUYGX-UHFFFAOYSA-N |
| Molecular Formula | C5H5N5O |
4-(4-Pyridyl)benzaldehyde, 97%
CAS: 99163-12-9 Molecular Formula: C12H9NO Molecular Weight (g/mol): 183.21 MDL Number: MFCD02684110 InChI Key: MBJXDIYHLGBQOT-UHFFFAOYSA-N Synonym: 4-pyridin-4-yl-benzaldehyde,4-pyridin-4-yl benzaldehyde,4-4-pyridyl benzaldehyde,4-4-pyridinyl benzaldehyde,4-4-formylphenyl pyridine,akos bar-0607,benzaldehyde, 4-4-pyridinyl,acmc-209sbt PubChem CID: 639673 IUPAC Name: 4-pyridin-4-ylbenzaldehyde SMILES: C1=CC(=CC=C1C=O)C2=CC=NC=C2
| PubChem CID | 639673 |
|---|---|
| CAS | 99163-12-9 |
| Molecular Weight (g/mol) | 183.21 |
| MDL Number | MFCD02684110 |
| SMILES | C1=CC(=CC=C1C=O)C2=CC=NC=C2 |
| Synonym | 4-pyridin-4-yl-benzaldehyde,4-pyridin-4-yl benzaldehyde,4-4-pyridyl benzaldehyde,4-4-pyridinyl benzaldehyde,4-4-formylphenyl pyridine,akos bar-0607,benzaldehyde, 4-4-pyridinyl,acmc-209sbt |
| IUPAC Name | 4-pyridin-4-ylbenzaldehyde |
| InChI Key | MBJXDIYHLGBQOT-UHFFFAOYSA-N |
| Molecular Formula | C12H9NO |
6-(Tetrahydropyran-4-yloxy)pyridine-2-carboxylic acid, 97%, Thermo Scientific™
CAS: 906352-78-1 Molecular Formula: C11H13NO4 Molecular Weight (g/mol): 223.228 MDL Number: MFCD11100042 InChI Key: UEWVONKWINVFRW-UHFFFAOYSA-N Synonym: 6-tetrahydro-2h-pyran-4-yl oxy picolinic acid,6-oxan-4-yloxy pyridine-2-carboxylic acid,6-tetrahydro-2h-pyran-4-yloxy pyridine-2-carboxylic acid,6-tetrahydropyran-4-yloxy pyridine-2-carboxylic acid,6-oxan-4-yl oxy pyridine-2-carboxylic acid,6-tetrahydro-2h-pyran-4-yl oxy picolinicacid,4-6-carboxypyridin-2-yl oxy tetrahydro-2h-pyran,2-carboxy-6-tetrahydro-2h-pyran-4-yl oxy pyridine,6-tetrahydro-2h-pyran-4-yl oxy pyridine-2-carboxylic acid,6-2h-3,4,5,6-tetrahydropyran-4-yloxy pyridine-2-carboxylic acid PubChem CID: 43811039 IUPAC Name: 6-(oxan-4-yloxy)pyridine-2-carboxylic acid SMILES: C1COCCC1OC2=CC=CC(=N2)C(=O)O
| PubChem CID | 43811039 |
|---|---|
| CAS | 906352-78-1 |
| Molecular Weight (g/mol) | 223.228 |
| MDL Number | MFCD11100042 |
| SMILES | C1COCCC1OC2=CC=CC(=N2)C(=O)O |
| Synonym | 6-tetrahydro-2h-pyran-4-yl oxy picolinic acid,6-oxan-4-yloxy pyridine-2-carboxylic acid,6-tetrahydro-2h-pyran-4-yloxy pyridine-2-carboxylic acid,6-tetrahydropyran-4-yloxy pyridine-2-carboxylic acid,6-oxan-4-yl oxy pyridine-2-carboxylic acid,6-tetrahydro-2h-pyran-4-yl oxy picolinicacid,4-6-carboxypyridin-2-yl oxy tetrahydro-2h-pyran,2-carboxy-6-tetrahydro-2h-pyran-4-yl oxy pyridine,6-tetrahydro-2h-pyran-4-yl oxy pyridine-2-carboxylic acid,6-2h-3,4,5,6-tetrahydropyran-4-yloxy pyridine-2-carboxylic acid |
| IUPAC Name | 6-(oxan-4-yloxy)pyridine-2-carboxylic acid |
| InChI Key | UEWVONKWINVFRW-UHFFFAOYSA-N |
| Molecular Formula | C11H13NO4 |
| Molecular Weight (g/mol) | 122.02 |
|---|---|
| CAS Min % | 92.49 |
| Chemical Name or Material | 9-Borabicyclo[3.3.1]nonane |
| SMILES | [B]1C2CCCC1CCC2 |
| InChI Key | AMKGKYQBASDDJB-UHFFFAOYSA-N |
| Density | 0.8840g/mL |
| PubChem CID | 6327450 |
| Fieser | 02,31; 03,24; 04,41; 05,46; 06,62; 07,29; 08,47; 09,57; 10,48; 11,68; 13,92; 14,52; 15,43; 17,49; 01,732; 04,356 |
| CAS | 109-99-9 |
| Health Hazard 3 | GHS P Statement Keep away from heat/sparks/open flames/hot surfaces. - No smoking. IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower. Handle under inert gas. Protect from moisture |
| MDL Number | MFCD00074742 |
| Health Hazard 2 | GHS H Statement In contact with water releases flammable gases. Highly flammable liquid and vapor. Causes severe skin burns and eye damage. May cause respiratory irritation. Suspected of causing cancer. May form explo |
| Solubility Information | Solubility in water: reacts |
| Flash Point | −17°C |
| Health Hazard 1 | GHS Signal Word: Danger |
| Synonym | 9-borabicyclo 3.3.1 nonane,9-borabicyclo 3.3.1 nonan,9-borabicyclo 3,3,1 nonane,9$l^ 2-borabicyclo 3.3.1 nonane,1s,5s-9-borabicyclo 3.3.1 nonane,monomer; 21205-91-4 dimer,9-borabicyclo 3.3.1 nonane,9-bbn,intetrahydrofuran |
| IUPAC Name | 9$l^{2}-borabicyclo[3.3.1]nonane |
| Molecular Formula | C8H15B |
| EINECS Number | 206-000-9 |
| Formula Weight | 122.02 |
| Specific Gravity | 0.884 |
| CAS Max % | 93.86 |
1,3-Bis(2,4,6-trimethylphenyl)imidazolium chloride, 95%
CAS: 141556-45-8 Molecular Formula: C21H25ClN2 Molecular Weight (g/mol): 340.90 MDL Number: MFCD02684541 InChI Key: OTOSIXGMLYKKOW-UHFFFAOYSA-M Synonym: 1,3-bis 2,4,6-trimethylphenyl imidazolium chloride,1,3-dimesityl-1h-imidazol-3-ium chloride,1,3-dimesitylimidazolium chloride,1,3-bis mesityl imidazolium chloride,imes.hcl,1,3-bis 2,4,6-trimethylphenyl imidazoliumchloride,1,3-2,4,6-trimethylphenyl imidazolium chloride,1,3-bis-2,4,6-trimethylphenyl-1h-imidazolium chloride,1,3-bis-2,4,6-trimethyl-phenyl-3h-imidazol-1-ium chloride,1,3-dihydro-1,3-dimesityl-2h-imidazol-2-ylidene monohydrochloride PubChem CID: 2734211 IUPAC Name: 1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium;chloride SMILES: [Cl-].CC1=CC(C)=C(N2C=C[N+](=C2)C2=C(C)C=C(C)C=C2C)C(C)=C1
| PubChem CID | 2734211 |
|---|---|
| CAS | 141556-45-8 |
| Molecular Weight (g/mol) | 340.90 |
| MDL Number | MFCD02684541 |
| SMILES | [Cl-].CC1=CC(C)=C(N2C=C[N+](=C2)C2=C(C)C=C(C)C=C2C)C(C)=C1 |
| Synonym | 1,3-bis 2,4,6-trimethylphenyl imidazolium chloride,1,3-dimesityl-1h-imidazol-3-ium chloride,1,3-dimesitylimidazolium chloride,1,3-bis mesityl imidazolium chloride,imes.hcl,1,3-bis 2,4,6-trimethylphenyl imidazoliumchloride,1,3-2,4,6-trimethylphenyl imidazolium chloride,1,3-bis-2,4,6-trimethylphenyl-1h-imidazolium chloride,1,3-bis-2,4,6-trimethyl-phenyl-3h-imidazol-1-ium chloride,1,3-dihydro-1,3-dimesityl-2h-imidazol-2-ylidene monohydrochloride |
| IUPAC Name | 1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium;chloride |
| InChI Key | OTOSIXGMLYKKOW-UHFFFAOYSA-M |
| Molecular Formula | C21H25ClN2 |
3-Hydroxypyridine-4-carboxylic acid, 98%
CAS: 10128-71-9 Molecular Formula: C6H5NO3 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00234165 InChI Key: JEHGATQUCUYHJL-UHFFFAOYSA-N Synonym: 3-hydroxyisonicotinic acid,3-hydroxy-4-pyridinecarboxylic acid,3-hydroxy-4-pyridinecarboxylicacid,4-pyridinecarboxylic acid, 3-hydroxy,3-hydroxy pyridine-4-carboxylic acid,3-hydroxyisonicontinic acid,pubchem16741,acmc-1bs5o,3-hydroxy-isonicotinic acid PubChem CID: 459503 IUPAC Name: 3-hydroxypyridine-4-carboxylic acid SMILES: C1=CN=CC(=C1C(=O)O)O
| PubChem CID | 459503 |
|---|---|
| CAS | 10128-71-9 |
| Molecular Weight (g/mol) | 139.11 |
| MDL Number | MFCD00234165 |
| SMILES | C1=CN=CC(=C1C(=O)O)O |
| Synonym | 3-hydroxyisonicotinic acid,3-hydroxy-4-pyridinecarboxylic acid,3-hydroxy-4-pyridinecarboxylicacid,4-pyridinecarboxylic acid, 3-hydroxy,3-hydroxy pyridine-4-carboxylic acid,3-hydroxyisonicontinic acid,pubchem16741,acmc-1bs5o,3-hydroxy-isonicotinic acid |
| IUPAC Name | 3-hydroxypyridine-4-carboxylic acid |
| InChI Key | JEHGATQUCUYHJL-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO3 |
1-Benzylindole-3-carboxylic acid, 98%, Thermo Scientific™
CAS: 27018-76-4 Molecular Formula: C16H13NO2 Molecular Weight (g/mol): 251.28 MDL Number: MFCD00057094 InChI Key: LVYDDRHDOKXFMW-UHFFFAOYSA-N Synonym: 1-benzyl-1h-indole-3-carboxylic acid,indole-3-carboxylic acid, 1-benzyl,1h-indole-3-carboxylic acid, 1-phenylmethyl,pubchem7313,cbmicro_033327,cambridge id 5791025,5-22-03-00037 beilstein handbook reference,1-benzylindol-3-carboxylic acid,n-benzylindole-3-carboxylic acid,1h-indole-3-carboxylicacid, 1-phenylmethyl PubChem CID: 33671 IUPAC Name: 1-benzylindole-3-carboxylic acid SMILES: C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)O
| PubChem CID | 33671 |
|---|---|
| CAS | 27018-76-4 |
| Molecular Weight (g/mol) | 251.28 |
| MDL Number | MFCD00057094 |
| SMILES | C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)O |
| Synonym | 1-benzyl-1h-indole-3-carboxylic acid,indole-3-carboxylic acid, 1-benzyl,1h-indole-3-carboxylic acid, 1-phenylmethyl,pubchem7313,cbmicro_033327,cambridge id 5791025,5-22-03-00037 beilstein handbook reference,1-benzylindol-3-carboxylic acid,n-benzylindole-3-carboxylic acid,1h-indole-3-carboxylicacid, 1-phenylmethyl |
| IUPAC Name | 1-benzylindole-3-carboxylic acid |
| InChI Key | LVYDDRHDOKXFMW-UHFFFAOYSA-N |
| Molecular Formula | C16H13NO2 |
2-(8-Bromooctyloxy)tetrahydropyran, tech. 90%
CAS: 50816-20-1 Molecular Formula: C13H25BrO2 Molecular Weight (g/mol): 293.245 MDL Number: MFCD00014648 InChI Key: JCRBYQZIJFWGOO-UHFFFAOYSA-N Synonym: 2-8-bromooctyl oxy tetrahydro-2h-pyran,2h-pyran, 2-8-bromooctyl oxy tetrahydro,1-bromo-8-tetrahydropyranyloxy octane,8-bromooctyl tetrahydropyranyl ether,1-bromo-8-tetrahydropyranyloxyoctane,2-8-bromooctyloxy tetrahydropyran,2-8-bromooctyl oxy oxane,acmc-20aowo PubChem CID: 170916 IUPAC Name: 2-(8-bromooctoxy)oxane SMILES: C1CCOC(C1)OCCCCCCCCBr
| PubChem CID | 170916 |
|---|---|
| CAS | 50816-20-1 |
| Molecular Weight (g/mol) | 293.245 |
| MDL Number | MFCD00014648 |
| SMILES | C1CCOC(C1)OCCCCCCCCBr |
| Synonym | 2-8-bromooctyl oxy tetrahydro-2h-pyran,2h-pyran, 2-8-bromooctyl oxy tetrahydro,1-bromo-8-tetrahydropyranyloxy octane,8-bromooctyl tetrahydropyranyl ether,1-bromo-8-tetrahydropyranyloxyoctane,2-8-bromooctyloxy tetrahydropyran,2-8-bromooctyl oxy oxane,acmc-20aowo |
| IUPAC Name | 2-(8-bromooctoxy)oxane |
| InChI Key | JCRBYQZIJFWGOO-UHFFFAOYSA-N |
| Molecular Formula | C13H25BrO2 |
3-Methylbenzo[b]furan-2-carboxylic acid, 97%
CAS: 24673-56-1 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.171 MDL Number: MFCD00060511 InChI Key: YMZTUCZCQMQFMK-UHFFFAOYSA-N Synonym: 3-methylbenzofuran-2-carboxylic acid,2-benzofurancarboxylic acid, 3-methyl,3-methyl-2-benzofurancarboxylic acid,3-methyl-benzofuran-2-carboxylic acid,3-methylbenzo b furan-2-carboxylic acid,cambridge id 5100668,acmc-1cp97,3-methylbenzofuran-2-carboxylicacid,3-methylbenzofuran 2 carboxylic acid,2-benzofurancarboxylicacid, 3-methyl PubChem CID: 600591 IUPAC Name: 3-methyl-1-benzofuran-2-carboxylic acid SMILES: CC1=C(OC2=CC=CC=C12)C(=O)O
| PubChem CID | 600591 |
|---|---|
| CAS | 24673-56-1 |
| Molecular Weight (g/mol) | 176.171 |
| MDL Number | MFCD00060511 |
| SMILES | CC1=C(OC2=CC=CC=C12)C(=O)O |
| Synonym | 3-methylbenzofuran-2-carboxylic acid,2-benzofurancarboxylic acid, 3-methyl,3-methyl-2-benzofurancarboxylic acid,3-methyl-benzofuran-2-carboxylic acid,3-methylbenzo b furan-2-carboxylic acid,cambridge id 5100668,acmc-1cp97,3-methylbenzofuran-2-carboxylicacid,3-methylbenzofuran 2 carboxylic acid,2-benzofurancarboxylicacid, 3-methyl |
| IUPAC Name | 3-methyl-1-benzofuran-2-carboxylic acid |
| InChI Key | YMZTUCZCQMQFMK-UHFFFAOYSA-N |
| Molecular Formula | C10H8O3 |
5-Hydroxyindole-3-acetic Acid, 99%
CAS: 54-16-0 Molecular Formula: C10H9NO3 Molecular Weight (g/mol): 191.19 MDL Number: MFCD00005639 InChI Key: DUUGKQCEGZLZNO-UHFFFAOYSA-N Synonym: 5-hydroxyindole-3-acetic acid,5-hiaa,2-5-hydroxy-1h-indol-3-yl acetic acid,5-hydroxyindoleacetic acid,5-hydroxyheteroauxin,5-hydroxy-1h-indol-3-yl acetic acid,5-oxyindoleacetic acid,hydroxyindoleacetic acid,5-hydroxy-iaa,5-hydroxyindol-3-ylacetic acid PubChem CID: 1826 ChEBI: CHEBI:27823 IUPAC Name: 2-(5-hydroxy-1H-indol-3-yl)acetic acid SMILES: C1=CC2=C(C=C1O)C(=CN2)CC(=O)O
| PubChem CID | 1826 |
|---|---|
| CAS | 54-16-0 |
| Molecular Weight (g/mol) | 191.19 |
| ChEBI | CHEBI:27823 |
| MDL Number | MFCD00005639 |
| SMILES | C1=CC2=C(C=C1O)C(=CN2)CC(=O)O |
| Synonym | 5-hydroxyindole-3-acetic acid,5-hiaa,2-5-hydroxy-1h-indol-3-yl acetic acid,5-hydroxyindoleacetic acid,5-hydroxyheteroauxin,5-hydroxy-1h-indol-3-yl acetic acid,5-oxyindoleacetic acid,hydroxyindoleacetic acid,5-hydroxy-iaa,5-hydroxyindol-3-ylacetic acid |
| IUPAC Name | 2-(5-hydroxy-1H-indol-3-yl)acetic acid |
| InChI Key | DUUGKQCEGZLZNO-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO3 |