Benzenoids
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2,2'-Methylenebis(6-tert-butyl-p-cresol) 99.0+%, TCI America™
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CAS: 119-47-1 Molecular Formula: C23H32O2 Molecular Weight (g/mol): 340.51 MDL Number: MFCD00043641 InChI Key: KGRVJHAUYBGFFP-UHFFFAOYSA-N PubChem CID: 8398 IUPAC Name: 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol SMILES: CC1=CC(CC2=CC(C)=CC(=C2O)C(C)(C)C)=C(O)C(=C1)C(C)(C)C
| PubChem CID | 8398 |
|---|---|
| CAS | 119-47-1 |
| Molecular Weight (g/mol) | 340.51 |
| MDL Number | MFCD00043641 |
| SMILES | CC1=CC(CC2=CC(C)=CC(=C2O)C(C)(C)C)=C(O)C(=C1)C(C)(C)C |
| IUPAC Name | 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol |
| InChI Key | KGRVJHAUYBGFFP-UHFFFAOYSA-N |
| Molecular Formula | C23H32O2 |
o-Anisidine Hydrochloride 99.0+%, TCI America™
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CAS: 134-29-2 Molecular Formula: C7H10ClNO Molecular Weight (g/mol): 159.613 MDL Number: MFCD00054334 InChI Key: XCZCWGVXRBJCCD-UHFFFAOYSA-N Synonym: 2-Methoxyaniline Hydrochloride PubChem CID: 8638 IUPAC Name: 2-methoxyaniline;hydrochloride SMILES: COC1=CC=CC=C1N.Cl
| PubChem CID | 8638 |
|---|---|
| CAS | 134-29-2 |
| Molecular Weight (g/mol) | 159.613 |
| MDL Number | MFCD00054334 |
| SMILES | COC1=CC=CC=C1N.Cl |
| Synonym | 2-Methoxyaniline Hydrochloride |
| IUPAC Name | 2-methoxyaniline;hydrochloride |
| InChI Key | XCZCWGVXRBJCCD-UHFFFAOYSA-N |
| Molecular Formula | C7H10ClNO |
2,3-Dichloro-5-nitro-1,4-naphthoquinone 97.0+%, TCI America™
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CAS: 22360-86-7 Molecular Formula: C10H3Cl2NO4 Molecular Weight (g/mol): 272.037 MDL Number: MFCD00192929 InChI Key: AWCITCQRUBWCJA-UHFFFAOYSA-N PubChem CID: 4381436 IUPAC Name: 2,3-dichloro-5-nitronaphthalene-1,4-dione SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C(=C(C2=O)Cl)Cl
| PubChem CID | 4381436 |
|---|---|
| CAS | 22360-86-7 |
| Molecular Weight (g/mol) | 272.037 |
| MDL Number | MFCD00192929 |
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C(=C(C2=O)Cl)Cl |
| IUPAC Name | 2,3-dichloro-5-nitronaphthalene-1,4-dione |
| InChI Key | AWCITCQRUBWCJA-UHFFFAOYSA-N |
| Molecular Formula | C10H3Cl2NO4 |
1,2,4-Trimethoxybenzene 97.0+%, TCI America™
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CAS: 135-77-3 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.192 MDL Number: MFCD00008360 InChI Key: AGIQIOSHSMJYJP-UHFFFAOYSA-N Synonym: benzene, 1,2,4-trimethoxy,unii-3ku3wd07ss,epa pesticide chemical code 040515,3ku3wd07ss,hydroxyhydroquinone trimethyl ether,2,4,5-trimethoxybenzene,acmc-1br3s,1,3,4-trimethoxy benzene,dsstox_cid_15163,dsstox_rid_79243 PubChem CID: 67284 IUPAC Name: 1,2,4-trimethoxybenzene SMILES: COC1=CC(=C(C=C1)OC)OC
| PubChem CID | 67284 |
|---|---|
| CAS | 135-77-3 |
| Molecular Weight (g/mol) | 168.192 |
| MDL Number | MFCD00008360 |
| SMILES | COC1=CC(=C(C=C1)OC)OC |
| Synonym | benzene, 1,2,4-trimethoxy,unii-3ku3wd07ss,epa pesticide chemical code 040515,3ku3wd07ss,hydroxyhydroquinone trimethyl ether,2,4,5-trimethoxybenzene,acmc-1br3s,1,3,4-trimethoxy benzene,dsstox_cid_15163,dsstox_rid_79243 |
| IUPAC Name | 1,2,4-trimethoxybenzene |
| InChI Key | AGIQIOSHSMJYJP-UHFFFAOYSA-N |
| Molecular Formula | C9H12O3 |
DAPT 97.0+%, TCI America™
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CAS: 208255-80-5 Molecular Formula: C23H26F2N2O4 Molecular Weight (g/mol): 432.468 MDL Number: MFCD04974585 InChI Key: DWJXYEABWRJFSP-XOBRGWDASA-N Synonym: dapt,dapt gsi-ix,gamma-secretase inhibitor ix,gsi-ix,insolution gamma-secretase inhibitor ix,s-tert-butyl 2-s-2-2-3,5-difluorophenyl acetamido propanamido-2-phenylacetate,n-n-3,5-difluorophenacetyl-l-alanyl-s-phenylglycine t-butyl ester,tert-butyl 2s-2-2s-2-2-3,5-difluorophenyl acetamido propanamido-2-phenylacetate,tert-butyl 2s-2-2s-2-2-3,5-difluorophenyl acetyl amino propanoyl amino-2-phenylacetate,gsiix PubChem CID: 5311272 ChEBI: CHEBI:86193 IUPAC Name: tert-butyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate SMILES: CC(C(=O)NC(C1=CC=CC=C1)C(=O)OC(C)(C)C)NC(=O)CC2=CC(=CC(=C2)F)F
| PubChem CID | 5311272 |
|---|---|
| CAS | 208255-80-5 |
| Molecular Weight (g/mol) | 432.468 |
| ChEBI | CHEBI:86193 |
| MDL Number | MFCD04974585 |
| SMILES | CC(C(=O)NC(C1=CC=CC=C1)C(=O)OC(C)(C)C)NC(=O)CC2=CC(=CC(=C2)F)F |
| Synonym | dapt,dapt gsi-ix,gamma-secretase inhibitor ix,gsi-ix,insolution gamma-secretase inhibitor ix,s-tert-butyl 2-s-2-2-3,5-difluorophenyl acetamido propanamido-2-phenylacetate,n-n-3,5-difluorophenacetyl-l-alanyl-s-phenylglycine t-butyl ester,tert-butyl 2s-2-2s-2-2-3,5-difluorophenyl acetamido propanamido-2-phenylacetate,tert-butyl 2s-2-2s-2-2-3,5-difluorophenyl acetyl amino propanoyl amino-2-phenylacetate,gsiix |
| IUPAC Name | tert-butyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate |
| InChI Key | DWJXYEABWRJFSP-XOBRGWDASA-N |
| Molecular Formula | C23H26F2N2O4 |
4-Allyl-1,2-dimethoxybenzene 98.0+%, TCI America™
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CAS: 93-15-2 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00008652 InChI Key: ZYEMGPIYFIJGTP-UHFFFAOYSA-N Synonym: methyleugenol,methyl eugenol,4-allyl-1,2-dimethoxybenzene,eugenol methyl ether,4-allylveratrole,o-methyleugenol,eugenyl methyl ether,3,4-dimethoxyallylbenzene,methyl eugenol ether,veratrole methyl ether PubChem CID: 7127 ChEBI: CHEBI:4918 IUPAC Name: 1,2-dimethoxy-4-prop-2-enylbenzene SMILES: COC1=C(C=C(C=C1)CC=C)OC
| PubChem CID | 7127 |
|---|---|
| CAS | 93-15-2 |
| Molecular Weight (g/mol) | 178.231 |
| ChEBI | CHEBI:4918 |
| MDL Number | MFCD00008652 |
| SMILES | COC1=C(C=C(C=C1)CC=C)OC |
| Synonym | methyleugenol,methyl eugenol,4-allyl-1,2-dimethoxybenzene,eugenol methyl ether,4-allylveratrole,o-methyleugenol,eugenyl methyl ether,3,4-dimethoxyallylbenzene,methyl eugenol ether,veratrole methyl ether |
| IUPAC Name | 1,2-dimethoxy-4-prop-2-enylbenzene |
| InChI Key | ZYEMGPIYFIJGTP-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
4-Fluoro-N-methylbenzylamine 97.0+%, TCI America™
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CAS: 405-66-3 Molecular Formula: C8H10FN Molecular Weight (g/mol): 139.173 MDL Number: MFCD03839848 InChI Key: SZJIQLSCDIEJFC-UHFFFAOYSA-N Synonym: n-methyl-4-fluorobenzylamine,4-fluoro-n-methylbenzylamine,4-fluoro-benzyl-methyl-amine,1-4-fluorophenyl-n-methylmethanamine,n-4-fluorobenzyl-n-methylamine,4-fluoro-n-methyl benzylamine,4-fluorophenyl methyl methyl amine,benzenemethanamine, 4-fluoro-n-methyl,1-4-fluorophenyl-n-methyl-methanamine,acmc-1aek3 PubChem CID: 736860 IUPAC Name: 1-(4-fluorophenyl)-N-methylmethanamine SMILES: CNCC1=CC=C(C=C1)F
| PubChem CID | 736860 |
|---|---|
| CAS | 405-66-3 |
| Molecular Weight (g/mol) | 139.173 |
| MDL Number | MFCD03839848 |
| SMILES | CNCC1=CC=C(C=C1)F |
| Synonym | n-methyl-4-fluorobenzylamine,4-fluoro-n-methylbenzylamine,4-fluoro-benzyl-methyl-amine,1-4-fluorophenyl-n-methylmethanamine,n-4-fluorobenzyl-n-methylamine,4-fluoro-n-methyl benzylamine,4-fluorophenyl methyl methyl amine,benzenemethanamine, 4-fluoro-n-methyl,1-4-fluorophenyl-n-methyl-methanamine,acmc-1aek3 |
| IUPAC Name | 1-(4-fluorophenyl)-N-methylmethanamine |
| InChI Key | SZJIQLSCDIEJFC-UHFFFAOYSA-N |
| Molecular Formula | C8H10FN |
2,4-Dimethoxyiodobenzene 98.0+%, TCI America™
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CAS: 20469-63-0 Molecular Formula: C8H9IO2 Molecular Weight (g/mol): 264.062 MDL Number: MFCD00059268 InChI Key: ZDUYJCKEORTAQE-UHFFFAOYSA-N Synonym: 2,4-dimethoxyiodobenzene,2,4-dimethoxy-1-iodobenzene,1,3-dimethoxy-4-iodobenzene,1-iodo-2,4-dimethoxy-benzene,benzene, 1-iodo-2,4-dimethoxy,4-iodo-1,3-dimethoxybenzene,pubchem3053,4-iodo-3-methoxy anisole,dimethoxyiodobenzene,cambridge id 5107587 PubChem CID: 140694 IUPAC Name: 1-iodo-2,4-dimethoxybenzene SMILES: COC1=CC(=C(C=C1)I)OC
| PubChem CID | 140694 |
|---|---|
| CAS | 20469-63-0 |
| Molecular Weight (g/mol) | 264.062 |
| MDL Number | MFCD00059268 |
| SMILES | COC1=CC(=C(C=C1)I)OC |
| Synonym | 2,4-dimethoxyiodobenzene,2,4-dimethoxy-1-iodobenzene,1,3-dimethoxy-4-iodobenzene,1-iodo-2,4-dimethoxy-benzene,benzene, 1-iodo-2,4-dimethoxy,4-iodo-1,3-dimethoxybenzene,pubchem3053,4-iodo-3-methoxy anisole,dimethoxyiodobenzene,cambridge id 5107587 |
| IUPAC Name | 1-iodo-2,4-dimethoxybenzene |
| InChI Key | ZDUYJCKEORTAQE-UHFFFAOYSA-N |
| Molecular Formula | C8H9IO2 |
trans-Benzalacetone 98.0+%, TCI America™
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CAS: 1896-62-4 Molecular Formula: C10H10O Molecular Weight (g/mol): 146.189 MDL Number: MFCD00008779 InChI Key: BWHOZHOGCMHOBV-BQYQJAHWSA-N Synonym: benzalacetone,benzylideneacetone,methyl styryl ketone,4-phenylbut-3-en-2-one,acetocinnamone,4-phenyl-3-buten-2-one,e-4-phenylbut-3-en-2-one,benzylidene acetone,trans-benzalacetone,benzalaceton PubChem CID: 637759 ChEBI: CHEBI:78399 IUPAC Name: (E)-4-phenylbut-3-en-2-one SMILES: CC(=O)C=CC1=CC=CC=C1
| PubChem CID | 637759 |
|---|---|
| CAS | 1896-62-4 |
| Molecular Weight (g/mol) | 146.189 |
| ChEBI | CHEBI:78399 |
| MDL Number | MFCD00008779 |
| SMILES | CC(=O)C=CC1=CC=CC=C1 |
| Synonym | benzalacetone,benzylideneacetone,methyl styryl ketone,4-phenylbut-3-en-2-one,acetocinnamone,4-phenyl-3-buten-2-one,e-4-phenylbut-3-en-2-one,benzylidene acetone,trans-benzalacetone,benzalaceton |
| IUPAC Name | (E)-4-phenylbut-3-en-2-one |
| InChI Key | BWHOZHOGCMHOBV-BQYQJAHWSA-N |
| Molecular Formula | C10H10O |
Nalpha-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-serine tert-Butyl Ester 98.0+%, TCI America™
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CAS: 110797-35-8 Molecular Formula: C22H25NO5 Molecular Weight (g/mol): 383.44 MDL Number: MFCD01861331 InChI Key: ZYOWIDHANLLHNO-UHFFFAOYNA-N Synonym: Nalpha-Fmoc-L-serine tert-Butyl Ester, Fmoc-Ser-OtBu PubChem CID: 11003502 IUPAC Name: tert-butyl 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-hydroxypropanoate SMILES: CC(C)(C)OC(=O)C(CO)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12
| PubChem CID | 11003502 |
|---|---|
| CAS | 110797-35-8 |
| Molecular Weight (g/mol) | 383.44 |
| MDL Number | MFCD01861331 |
| SMILES | CC(C)(C)OC(=O)C(CO)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12 |
| Synonym | Nalpha-Fmoc-L-serine tert-Butyl Ester, Fmoc-Ser-OtBu |
| IUPAC Name | tert-butyl 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-hydroxypropanoate |
| InChI Key | ZYOWIDHANLLHNO-UHFFFAOYNA-N |
| Molecular Formula | C22H25NO5 |
Xylometazoline Hydrochloride 98.0+%, TCI America™
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CAS: 1218-35-5 Molecular Formula: C16H25ClN2 Molecular Weight (g/mol): 280.84 MDL Number: MFCD00238707 InChI Key: YGWFCQYETHJKNX-UHFFFAOYSA-N Synonym: xylometazoline hydrochloride,xylometazoline hcl,2-4-tert-butyl-2,6-dimethylbenzyl-2-imidazoline hydrochloride,unii-x5s84033nz,dsstox_cid_25223,dsstox_rid_80760,dsstox_gsid_45223,2-4-tert-butyl-2,6-dimethyl-phenyl methyl-4,5-dihydro-1h-imidazole hydrochloride,2-4-tert-butyl-2,6-dimethylphenyl methyl-4,5-dihydro-1h-imidazole hydrochloride PubChem CID: 5282386 IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride SMILES: CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C.Cl
| PubChem CID | 5282386 |
|---|---|
| CAS | 1218-35-5 |
| Molecular Weight (g/mol) | 280.84 |
| MDL Number | MFCD00238707 |
| SMILES | CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C.Cl |
| Synonym | xylometazoline hydrochloride,xylometazoline hcl,2-4-tert-butyl-2,6-dimethylbenzyl-2-imidazoline hydrochloride,unii-x5s84033nz,dsstox_cid_25223,dsstox_rid_80760,dsstox_gsid_45223,2-4-tert-butyl-2,6-dimethyl-phenyl methyl-4,5-dihydro-1h-imidazole hydrochloride,2-4-tert-butyl-2,6-dimethylphenyl methyl-4,5-dihydro-1h-imidazole hydrochloride |
| IUPAC Name | 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride |
| InChI Key | YGWFCQYETHJKNX-UHFFFAOYSA-N |
| Molecular Formula | C16H25ClN2 |
4,4'-Dibromo-1,1'-spirobiindane-7,7'-diol 98.0+%, TCI America™
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CAS: 681481-91-4 Molecular Formula: C17H14Br2O2 Molecular Weight (g/mol): 410.105 MDL Number: MFCD16660947 InChI Key: OZVMVFKUNSNXQC-UHFFFAOYSA-N PubChem CID: 11235237 IUPAC Name: 7,7'-dibromo-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol SMILES: C1CC2(CCC3=C(C=CC(=C32)O)Br)C4=C(C=CC(=C41)Br)O
| PubChem CID | 11235237 |
|---|---|
| CAS | 681481-91-4 |
| Molecular Weight (g/mol) | 410.105 |
| MDL Number | MFCD16660947 |
| SMILES | C1CC2(CCC3=C(C=CC(=C32)O)Br)C4=C(C=CC(=C41)Br)O |
| IUPAC Name | 7,7'-dibromo-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol |
| InChI Key | OZVMVFKUNSNXQC-UHFFFAOYSA-N |
| Molecular Formula | C17H14Br2O2 |
Ethyl (2-Methoxyphenoxy)acetate 98.0+%, TCI America™
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CAS: 13078-21-2 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.229 MDL Number: MFCD00082657 InChI Key: BZCGGCRVJFWCIW-UHFFFAOYSA-N Synonym: (2-Methoxyphenoxy)acetic Acid Ethyl Ester PubChem CID: 83114 IUPAC Name: ethyl 2-(2-methoxyphenoxy)acetate SMILES: CCOC(=O)COC1=CC=CC=C1OC
| PubChem CID | 83114 |
|---|---|
| CAS | 13078-21-2 |
| Molecular Weight (g/mol) | 210.229 |
| MDL Number | MFCD00082657 |
| SMILES | CCOC(=O)COC1=CC=CC=C1OC |
| Synonym | (2-Methoxyphenoxy)acetic Acid Ethyl Ester |
| IUPAC Name | ethyl 2-(2-methoxyphenoxy)acetate |
| InChI Key | BZCGGCRVJFWCIW-UHFFFAOYSA-N |
| Molecular Formula | C11H14O4 |
m-Xylyl Cyanide 98.0+%, TCI America™
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CAS: 2947-60-6 Molecular Formula: C9H9N Molecular Weight (g/mol): 131.18 MDL Number: MFCD00001914 InChI Key: WOJADIOTNFDWNQ-UHFFFAOYSA-N Synonym: 2-3-methylphenyl acetonitrile,3-methylbenzyl cyanide,m-tolylacetonitrile,m-methylphenylacetonitrile,m-xylyl cyanide,3-methylbenzylcyanide,m-methylbenzyl cyanide,3-methylphenylacetonitrile,3-methylphenyl acetonitrile,2-m-tolyl acetonitrile PubChem CID: 76279 IUPAC Name: 2-(3-methylphenyl)acetonitrile SMILES: CC1=CC=CC(CC#N)=C1
| PubChem CID | 76279 |
|---|---|
| CAS | 2947-60-6 |
| Molecular Weight (g/mol) | 131.18 |
| MDL Number | MFCD00001914 |
| SMILES | CC1=CC=CC(CC#N)=C1 |
| Synonym | 2-3-methylphenyl acetonitrile,3-methylbenzyl cyanide,m-tolylacetonitrile,m-methylphenylacetonitrile,m-xylyl cyanide,3-methylbenzylcyanide,m-methylbenzyl cyanide,3-methylphenylacetonitrile,3-methylphenyl acetonitrile,2-m-tolyl acetonitrile |
| IUPAC Name | 2-(3-methylphenyl)acetonitrile |
| InChI Key | WOJADIOTNFDWNQ-UHFFFAOYSA-N |
| Molecular Formula | C9H9N |
4-Hydroxy-3-methoxybenzonitrile 98.0+%, TCI America™
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CAS: 4421-08-3 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.15 MDL Number: MFCD00001820 InChI Key: QJRWLNLUIAJTAD-UHFFFAOYSA-N Synonym: vanillonitrile,m-anisonitrile, 4-hydroxy,4-hydroxy-3-methoxy-benzonitrile,3-methoxy-4-hydroxybenzonitrile,4-hydroxy-3-methoxybenzenecarbonitrile,pubchem13112,2-methoxy-4-cyanophenol,4-cyano-2-methoxyphenol,5-cyano-2-hydroxyanisole,2-methoxy-4-cyano-phenol PubChem CID: 78135 IUPAC Name: 4-hydroxy-3-methoxybenzonitrile SMILES: COC1=C(C=CC(=C1)C#N)O
| PubChem CID | 78135 |
|---|---|
| CAS | 4421-08-3 |
| Molecular Weight (g/mol) | 149.15 |
| MDL Number | MFCD00001820 |
| SMILES | COC1=C(C=CC(=C1)C#N)O |
| Synonym | vanillonitrile,m-anisonitrile, 4-hydroxy,4-hydroxy-3-methoxy-benzonitrile,3-methoxy-4-hydroxybenzonitrile,4-hydroxy-3-methoxybenzenecarbonitrile,pubchem13112,2-methoxy-4-cyanophenol,4-cyano-2-methoxyphenol,5-cyano-2-hydroxyanisole,2-methoxy-4-cyano-phenol |
| IUPAC Name | 4-hydroxy-3-methoxybenzonitrile |
| InChI Key | QJRWLNLUIAJTAD-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO2 |