Organic compounds
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4-(3-Hydroxyphenoxy)benzoic Acid 99.0+%, TCI America™
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CAS: 56183-35-8 Molecular Formula: C13H10O4 Molecular Weight (g/mol): 230.219 MDL Number: MFCD00059644 InChI Key: DEDKCEDXZJIDKZ-UHFFFAOYSA-N PubChem CID: 615389 IUPAC Name: 4-(3-hydroxyphenoxy)benzoic acid SMILES: C1=CC(=CC(=C1)OC2=CC=C(C=C2)C(=O)O)O
| PubChem CID | 615389 |
|---|---|
| CAS | 56183-35-8 |
| Molecular Weight (g/mol) | 230.219 |
| MDL Number | MFCD00059644 |
| SMILES | C1=CC(=CC(=C1)OC2=CC=C(C=C2)C(=O)O)O |
| IUPAC Name | 4-(3-hydroxyphenoxy)benzoic acid |
| InChI Key | DEDKCEDXZJIDKZ-UHFFFAOYSA-N |
| Molecular Formula | C13H10O4 |
Oxo[5,10,15,20-tetra(4-pyridyl)porphyrinato]titanium(IV) 90.0+%, TCI America™
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CAS: 105250-49-5 Molecular Formula: C40H26N8OTi Molecular Weight (g/mol): 682.57 MDL Number: MFCD00191476 InChI Key: MBQQRSZDRZWVJE-UHFFFAOYSA-N PubChem CID: 131674669 IUPAC Name: 5,10,15,20-tetrapyridin-4-ylporphyrin-22,23-diide;titanium(2+);hydrate SMILES: C1=CC2=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C1[N-]2)C6=CC=NC=C6)C7=CC=NC=C7)C8=CC=NC=C8)C9=CC=NC=C9.O.[Ti+2]
| PubChem CID | 131674669 |
|---|---|
| CAS | 105250-49-5 |
| Molecular Weight (g/mol) | 682.57 |
| MDL Number | MFCD00191476 |
| SMILES | C1=CC2=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C1[N-]2)C6=CC=NC=C6)C7=CC=NC=C7)C8=CC=NC=C8)C9=CC=NC=C9.O.[Ti+2] |
| IUPAC Name | 5,10,15,20-tetrapyridin-4-ylporphyrin-22,23-diide;titanium(2+);hydrate |
| InChI Key | MBQQRSZDRZWVJE-UHFFFAOYSA-N |
| Molecular Formula | C40H26N8OTi |
N-(tert-Butoxycarbonyl)-4-fluoro-L-phenylalanine 98.0+%, TCI America™
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CAS: 41153-30-4 Molecular Formula: C14H18FNO4 Molecular Weight (g/mol): 283.299 MDL Number: MFCD00079672 InChI Key: RCXSXRAUMLKRRL-NSHDSACASA-N Synonym: boc-l-4-fluorophenylalanine,boc-phe 4-f-oh,boc-l-4-fluorophe,boc-4-fluoro-l-phenylalanine,boc-4-fluoro-l-phe-oh,n-tert-butoxycarbonyl-4-fluoro-l-phenylalanine,s-n-boc-4-fluorophenylalanine,boc-l-phe 4-f-oh,boc-p-fluoro-l-phenylalanine,boc-p-fluoro-phe-oh PubChem CID: 7020910 IUPAC Name: (2S)-3-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid SMILES: CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)F)C(=O)O
| PubChem CID | 7020910 |
|---|---|
| CAS | 41153-30-4 |
| Molecular Weight (g/mol) | 283.299 |
| MDL Number | MFCD00079672 |
| SMILES | CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)F)C(=O)O |
| Synonym | boc-l-4-fluorophenylalanine,boc-phe 4-f-oh,boc-l-4-fluorophe,boc-4-fluoro-l-phenylalanine,boc-4-fluoro-l-phe-oh,n-tert-butoxycarbonyl-4-fluoro-l-phenylalanine,s-n-boc-4-fluorophenylalanine,boc-l-phe 4-f-oh,boc-p-fluoro-l-phenylalanine,boc-p-fluoro-phe-oh |
| IUPAC Name | (2S)-3-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
| InChI Key | RCXSXRAUMLKRRL-NSHDSACASA-N |
| Molecular Formula | C14H18FNO4 |
5,10-Dihydro-5,10-dimethylphenazine 99.0+%, TCI America™
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CAS: 15546-75-5 Molecular Formula: C14H14N2 Molecular Weight (g/mol): 210.28 InChI Key: GVTGSIMRZRYNEI-UHFFFAOYSA-N PubChem CID: 288679 IUPAC Name: 5,10-dimethylphenazine SMILES: CN1C2=CC=CC=C2N(C3=CC=CC=C31)C
| PubChem CID | 288679 |
|---|---|
| CAS | 15546-75-5 |
| Molecular Weight (g/mol) | 210.28 |
| SMILES | CN1C2=CC=CC=C2N(C3=CC=CC=C31)C |
| IUPAC Name | 5,10-dimethylphenazine |
| InChI Key | GVTGSIMRZRYNEI-UHFFFAOYSA-N |
| Molecular Formula | C14H14N2 |
5-Chloroindole 98.0+%, TCI America™
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CAS: 17422-32-1 Molecular Formula: C8H6ClN Molecular Weight (g/mol): 151.593 MDL Number: MFCD00005672 InChI Key: MYTGFBZJLDLWQG-UHFFFAOYSA-N Synonym: 5-chloroindole,1h-indole, 5-chloro,5-chloro indole,1h-indole, 5-chloro-9ci,5-chloroindol,5-chloro-indole,3fue,zlchem 215,5-chlor-1h-indole,indole, 5-chloro PubChem CID: 87110 IUPAC Name: 5-chloro-1H-indole SMILES: C1=CC2=C(C=CN2)C=C1Cl
| PubChem CID | 87110 |
|---|---|
| CAS | 17422-32-1 |
| Molecular Weight (g/mol) | 151.593 |
| MDL Number | MFCD00005672 |
| SMILES | C1=CC2=C(C=CN2)C=C1Cl |
| Synonym | 5-chloroindole,1h-indole, 5-chloro,5-chloro indole,1h-indole, 5-chloro-9ci,5-chloroindol,5-chloro-indole,3fue,zlchem 215,5-chlor-1h-indole,indole, 5-chloro |
| IUPAC Name | 5-chloro-1H-indole |
| InChI Key | MYTGFBZJLDLWQG-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClN |
2-Acetamido-6-methylpyridine 98.0+%, TCI America™
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CAS: 5327-33-3 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.181 MDL Number: MFCD00091881 InChI Key: UEXYAZLLFZIXHN-UHFFFAOYSA-N Synonym: n-6-methylpyridin-2-yl acetamide,2-acetamido-6-methylpyridine,n-6-methyl-2-pyridyl acetamide,6-acetamido-2-picoline,acetamide, n-6-methyl-2-pyridinyl,2-acetamido-6-picoline,acmc-1akw3,2-picoline, 6-acetamido,6-acetamido-2-methyl-pyridine,n-6-methyl-2-pyridinyl acetamide PubChem CID: 220486 IUPAC Name: N-(6-methylpyridin-2-yl)acetamide SMILES: CC1=NC(=CC=C1)NC(=O)C
| PubChem CID | 220486 |
|---|---|
| CAS | 5327-33-3 |
| Molecular Weight (g/mol) | 150.181 |
| MDL Number | MFCD00091881 |
| SMILES | CC1=NC(=CC=C1)NC(=O)C |
| Synonym | n-6-methylpyridin-2-yl acetamide,2-acetamido-6-methylpyridine,n-6-methyl-2-pyridyl acetamide,6-acetamido-2-picoline,acetamide, n-6-methyl-2-pyridinyl,2-acetamido-6-picoline,acmc-1akw3,2-picoline, 6-acetamido,6-acetamido-2-methyl-pyridine,n-6-methyl-2-pyridinyl acetamide |
| IUPAC Name | N-(6-methylpyridin-2-yl)acetamide |
| InChI Key | UEXYAZLLFZIXHN-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O |
Ethyl 2-Oxocyclohexanecarboxylate 95.0+%, TCI America™
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CAS: 1655-07-8 Molecular Formula: C9H14O3 Molecular Weight (g/mol): 170.21 MDL Number: MFCD00001631 InChI Key: FGSGHBPKHFDJOP-UHFFFAOYNA-N Synonym: ethyl 2-oxocyclohexanecarboxylate,ethyl 2-cyclohexanonecarboxylate,2-carbethoxycyclohexanone,ethyl cyclohexanone-2-carboxylate,cyclohexanecarboxylic acid, 2-oxo-, ethyl ester,2-ethoxycarbonyl cyclohexanone,2-cyclohexanonecarboxylic acid ethyl ester,2-oxocyclohexanecarboxylic acid ethyl ester,ethyl 2-oxo-1-cyclohexanecarboxylate,ethyl 2-oxocylohexanecarboxylate PubChem CID: 95543 IUPAC Name: ethyl 2-oxocyclohexane-1-carboxylate SMILES: CCOC(=O)C1CCCCC1=O
| PubChem CID | 95543 |
|---|---|
| CAS | 1655-07-8 |
| Molecular Weight (g/mol) | 170.21 |
| MDL Number | MFCD00001631 |
| SMILES | CCOC(=O)C1CCCCC1=O |
| Synonym | ethyl 2-oxocyclohexanecarboxylate,ethyl 2-cyclohexanonecarboxylate,2-carbethoxycyclohexanone,ethyl cyclohexanone-2-carboxylate,cyclohexanecarboxylic acid, 2-oxo-, ethyl ester,2-ethoxycarbonyl cyclohexanone,2-cyclohexanonecarboxylic acid ethyl ester,2-oxocyclohexanecarboxylic acid ethyl ester,ethyl 2-oxo-1-cyclohexanecarboxylate,ethyl 2-oxocylohexanecarboxylate |
| IUPAC Name | ethyl 2-oxocyclohexane-1-carboxylate |
| InChI Key | FGSGHBPKHFDJOP-UHFFFAOYNA-N |
| Molecular Formula | C9H14O3 |
N-Benzoylmeroquinene tert-Butyl Ester 98.0+%, TCI America™
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CAS: 52346-13-1 Molecular Formula: C20H27NO3 Molecular Weight (g/mol): 329.44 MDL Number: MFCD08276275 InChI Key: LYFYOJAKMXFONP-UHFFFAOYNA-N Synonym: (3R,4S)-1-Benzoyl-3-vinyl-4-piperidineacetic Acid tert-Butyl Ester, tert-Butyl (3R,4S)-1-Benzoyl-3-vinyl-4-piperidineacetate PubChem CID: 11809651 IUPAC Name: tert-butyl 2-(1-benzoyl-3-ethenylpiperidin-4-yl)acetate SMILES: CC(C)(C)OC(=O)CC1CCN(CC1C=C)C(=O)C1=CC=CC=C1
| PubChem CID | 11809651 |
|---|---|
| CAS | 52346-13-1 |
| Molecular Weight (g/mol) | 329.44 |
| MDL Number | MFCD08276275 |
| SMILES | CC(C)(C)OC(=O)CC1CCN(CC1C=C)C(=O)C1=CC=CC=C1 |
| Synonym | (3R,4S)-1-Benzoyl-3-vinyl-4-piperidineacetic Acid tert-Butyl Ester, tert-Butyl (3R,4S)-1-Benzoyl-3-vinyl-4-piperidineacetate |
| IUPAC Name | tert-butyl 2-(1-benzoyl-3-ethenylpiperidin-4-yl)acetate |
| InChI Key | LYFYOJAKMXFONP-UHFFFAOYNA-N |
| Molecular Formula | C20H27NO3 |
4-Bromo-2-fluorobenzaldehyde 96.0+%, TCI America™
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CAS: 57848-46-1 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD00143261 InChI Key: UPCARQPLANFGQJ-UHFFFAOYSA-N Synonym: 2-fluoro-4-bromobenzaldehyde,benzaldehyde, 4-bromo-2-fluoro,4-bromo-2-fluoro-benzaldehyde,pubchem1421,acmc-1awi3,4-bromo-2-flurobenzaldehyde,4-bromo-2 fluorobenzaldehyde,ksc272o0t,2-fluoro-4-bromo-benzaldehyde,4-bromo-2-fluoro benzaldehyde PubChem CID: 143517 IUPAC Name: 4-bromo-2-fluorobenzaldehyde SMILES: FC1=CC(Br)=CC=C1C=O
| PubChem CID | 143517 |
|---|---|
| CAS | 57848-46-1 |
| Molecular Weight (g/mol) | 203.01 |
| MDL Number | MFCD00143261 |
| SMILES | FC1=CC(Br)=CC=C1C=O |
| Synonym | 2-fluoro-4-bromobenzaldehyde,benzaldehyde, 4-bromo-2-fluoro,4-bromo-2-fluoro-benzaldehyde,pubchem1421,acmc-1awi3,4-bromo-2-flurobenzaldehyde,4-bromo-2 fluorobenzaldehyde,ksc272o0t,2-fluoro-4-bromo-benzaldehyde,4-bromo-2-fluoro benzaldehyde |
| IUPAC Name | 4-bromo-2-fluorobenzaldehyde |
| InChI Key | UPCARQPLANFGQJ-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrFO |
cis-1,2-Dicyano-1,2-bis(2,4,5-trimethyl-3-thienyl)ethene 98.0+%, TCI America™
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CAS: 112440-46-7 Molecular Formula: C18H18N2S2 Molecular Weight (g/mol): 326.476 MDL Number: MFCD00143977 InChI Key: AYNDKKQQUZPETC-NXVVXOECSA-N Synonym: 1,2-Bis(2,4,5-trimethyl-3-thienyl)-cis-1,2-dicyanoethene PubChem CID: 44630141 IUPAC Name: (Z)-2,3-bis(2,4,5-trimethylthiophen-3-yl)but-2-enedinitrile SMILES: CC1=C(SC(=C1C(=C(C#N)C2=C(SC(=C2C)C)C)C#N)C)C
| PubChem CID | 44630141 |
|---|---|
| CAS | 112440-46-7 |
| Molecular Weight (g/mol) | 326.476 |
| MDL Number | MFCD00143977 |
| SMILES | CC1=C(SC(=C1C(=C(C#N)C2=C(SC(=C2C)C)C)C#N)C)C |
| Synonym | 1,2-Bis(2,4,5-trimethyl-3-thienyl)-cis-1,2-dicyanoethene |
| IUPAC Name | (Z)-2,3-bis(2,4,5-trimethylthiophen-3-yl)but-2-enedinitrile |
| InChI Key | AYNDKKQQUZPETC-NXVVXOECSA-N |
| Molecular Formula | C18H18N2S2 |
trans,trans-4-(2,3-Difluoro-4-methylphenyl)-4'-ethylbicyclohexyl 98.0+%, TCI America™
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CAS: 174350-08-4 Molecular Formula: C21H30F2 Molecular Weight (g/mol): 320.468 InChI Key: GDXLAJNVPUQWRF-UHFFFAOYSA-N PubChem CID: 22184030 IUPAC Name: 1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methylbenzene SMILES: CCC1CCC(CC1)C2CCC(CC2)C3=C(C(=C(C=C3)C)F)F
| PubChem CID | 22184030 |
|---|---|
| CAS | 174350-08-4 |
| Molecular Weight (g/mol) | 320.468 |
| SMILES | CCC1CCC(CC1)C2CCC(CC2)C3=C(C(=C(C=C3)C)F)F |
| IUPAC Name | 1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methylbenzene |
| InChI Key | GDXLAJNVPUQWRF-UHFFFAOYSA-N |
| Molecular Formula | C21H30F2 |
beta-Caryophyllene 90.0+%, TCI America™
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CAS: 87-44-5 Molecular Formula: C15H24 Molecular Weight (g/mol): 204.357 MDL Number: MFCD00075925 InChI Key: NPNUFJAVOOONJE-IZZDOVSWSA-N Synonym: --caryophyllene,caryophyllene,l-caryophyllene,trans-caryophyllene,e-.beta.-caryophyllene,.beta.-caryophyllene,-,caryophyllene ,alpha + beta mixt.,+ e-caryophyllene,e-.beta.-caryophylene,8-methylene-4,11-trimethyl bicyclo 7.2.0 undec-4-ene PubChem CID: 5354499 IUPAC Name: (4E)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene SMILES: CC1=CCCC(=C)C2CC(C2CC1)(C)C
| PubChem CID | 5354499 |
|---|---|
| CAS | 87-44-5 |
| Molecular Weight (g/mol) | 204.357 |
| MDL Number | MFCD00075925 |
| SMILES | CC1=CCCC(=C)C2CC(C2CC1)(C)C |
| Synonym | --caryophyllene,caryophyllene,l-caryophyllene,trans-caryophyllene,e-.beta.-caryophyllene,.beta.-caryophyllene,-,caryophyllene ,alpha + beta mixt.,+ e-caryophyllene,e-.beta.-caryophylene,8-methylene-4,11-trimethyl bicyclo 7.2.0 undec-4-ene |
| IUPAC Name | (4E)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene |
| InChI Key | NPNUFJAVOOONJE-IZZDOVSWSA-N |
| Molecular Formula | C15H24 |
Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate 96.0+%, TCI America™
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CAS: 21339-47-9 Molecular Formula: C13H24O6 Molecular Weight (g/mol): 276.329 MDL Number: MFCD00671525 InChI Key: VQUXMFKGQFXVBC-UHFFFAOYSA-N Synonym: 3,3-Diethoxypropane-1,1-dicarboxylic Acid Diethyl Ester PubChem CID: 298328 IUPAC Name: diethyl 2-(2,2-diethoxyethyl)propanedioate SMILES: CCOC(CC(C(=O)OCC)C(=O)OCC)OCC
| PubChem CID | 298328 |
|---|---|
| CAS | 21339-47-9 |
| Molecular Weight (g/mol) | 276.329 |
| MDL Number | MFCD00671525 |
| SMILES | CCOC(CC(C(=O)OCC)C(=O)OCC)OCC |
| Synonym | 3,3-Diethoxypropane-1,1-dicarboxylic Acid Diethyl Ester |
| IUPAC Name | diethyl 2-(2,2-diethoxyethyl)propanedioate |
| InChI Key | VQUXMFKGQFXVBC-UHFFFAOYSA-N |
| Molecular Formula | C13H24O6 |
DL-2-Methyl-1-butanol (Synthetic) 97.0+%, TCI America™
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CAS: 137-32-6 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00004743 InChI Key: QPRQEDXDYOZYLA-UHFFFAOYSA-N Synonym: 2-methyl-1-butanol,active amyl alcohol,1-butanol, 2-methyl,2-methylbutanol,sec-butylcarbinol,dl-2-methyl-1-butanol,2-methyl-n-butanol,2-methylbutyl alcohol,2-methyl butanol-1,primary active amyl alcohol PubChem CID: 8723 ChEBI: CHEBI:48945 IUPAC Name: 2-methylbutan-1-ol SMILES: CCC(C)CO
| PubChem CID | 8723 |
|---|---|
| CAS | 137-32-6 |
| Molecular Weight (g/mol) | 88.15 |
| ChEBI | CHEBI:48945 |
| MDL Number | MFCD00004743 |
| SMILES | CCC(C)CO |
| Synonym | 2-methyl-1-butanol,active amyl alcohol,1-butanol, 2-methyl,2-methylbutanol,sec-butylcarbinol,dl-2-methyl-1-butanol,2-methyl-n-butanol,2-methylbutyl alcohol,2-methyl butanol-1,primary active amyl alcohol |
| IUPAC Name | 2-methylbutan-1-ol |
| InChI Key | QPRQEDXDYOZYLA-UHFFFAOYSA-N |
| Molecular Formula | C5H12O |
4-Bromo-9H-fluoren-9-one 98.0+%, TCI America™
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CAS: 4269-17-4 Molecular Formula: C13H7BrO Molecular Weight (g/mol): 259.102 MDL Number: MFCD22988837 InChI Key: YWYZCXNQMZOYHM-UHFFFAOYSA-N PubChem CID: 255651 IUPAC Name: 4-bromofluoren-9-one SMILES: C1=CC=C2C(=C1)C3=C(C2=O)C=CC=C3Br
| PubChem CID | 255651 |
|---|---|
| CAS | 4269-17-4 |
| Molecular Weight (g/mol) | 259.102 |
| MDL Number | MFCD22988837 |
| SMILES | C1=CC=C2C(=C1)C3=C(C2=O)C=CC=C3Br |
| IUPAC Name | 4-bromofluoren-9-one |
| InChI Key | YWYZCXNQMZOYHM-UHFFFAOYSA-N |
| Molecular Formula | C13H7BrO |