Phenylpropanoids and polyketides
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1,1,3-Triphenylpropargyl alcohol, 97%
CAS: 1522-13-0 Molecular Formula: C21H16O Molecular Weight (g/mol): 284.36 MDL Number: MFCD00004449 InChI Key: VWRQCJRTHKUVNF-UHFFFAOYSA-N Synonym: 1,1,3-triphenylpropargyl alcohol,1,1,3-triphenyl-2-propyn-1-ol,diphenyl phenylethynyl carbinol,benzenemethanol, .alpha.-phenyl-.alpha.-phenylethynyl,triphenylprop-2-yn-1-ol,1,1,3-triphenylpropargylalcohol,2-propyn-1-ol, 1,1,3-triphenyl,pubchem14025,acmc-209d7i,triphenyl-1-propyne-3-ol PubChem CID: 137058 IUPAC Name: 1,1,3-triphenylprop-2-yn-1-ol SMILES: OC(C#CC1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 137058 |
|---|---|
| CAS | 1522-13-0 |
| Molecular Weight (g/mol) | 284.36 |
| MDL Number | MFCD00004449 |
| SMILES | OC(C#CC1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 1,1,3-triphenylpropargyl alcohol,1,1,3-triphenyl-2-propyn-1-ol,diphenyl phenylethynyl carbinol,benzenemethanol, .alpha.-phenyl-.alpha.-phenylethynyl,triphenylprop-2-yn-1-ol,1,1,3-triphenylpropargylalcohol,2-propyn-1-ol, 1,1,3-triphenyl,pubchem14025,acmc-209d7i,triphenyl-1-propyne-3-ol |
| IUPAC Name | 1,1,3-triphenylprop-2-yn-1-ol |
| InChI Key | VWRQCJRTHKUVNF-UHFFFAOYSA-N |
| Molecular Formula | C21H16O |
2-Fluorocinnamic acid, predominantly trans, 98%
CAS: 451-69-4 Molecular Formula: C9H7FO2 Molecular Weight (g/mol): 166.15 MDL Number: MFCD00004370 InChI Key: IOUDZAFBPDDAMK-AATRIKPKSA-N Synonym: 2-fluorocinnamic acid,o-fluorocinnamic acid,cinnamic acid, o-fluoro,2-propenoic acid, 3-2-fluorophenyl,2e-3-2-fluorophenyl prop-2-enoic acid,3-2-fluorophenyl acrylic acid,3-2-fluoro-phenyl-acrylic acid,2e-3-2-fluorophenyl acrylic acid,3-2-fluorophenyl-2-propenoic acid,trans-2-fluorocinnamic acid PubChem CID: 735833 IUPAC Name: (E)-3-(2-fluorophenyl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=CC=CC=C1F
| PubChem CID | 735833 |
|---|---|
| CAS | 451-69-4 |
| Molecular Weight (g/mol) | 166.15 |
| MDL Number | MFCD00004370 |
| SMILES | OC(=O)\C=C\C1=CC=CC=C1F |
| Synonym | 2-fluorocinnamic acid,o-fluorocinnamic acid,cinnamic acid, o-fluoro,2-propenoic acid, 3-2-fluorophenyl,2e-3-2-fluorophenyl prop-2-enoic acid,3-2-fluorophenyl acrylic acid,3-2-fluoro-phenyl-acrylic acid,2e-3-2-fluorophenyl acrylic acid,3-2-fluorophenyl-2-propenoic acid,trans-2-fluorocinnamic acid |
| IUPAC Name | (E)-3-(2-fluorophenyl)prop-2-enoic acid |
| InChI Key | IOUDZAFBPDDAMK-AATRIKPKSA-N |
| Molecular Formula | C9H7FO2 |
4-Bromomethyl-6,7-dimethoxycoumarin, 95%
CAS: 88404-25-5 Molecular Formula: C12H11BrO4 Molecular Weight (g/mol): 299.12 MDL Number: MFCD00011570 InChI Key: JGODLBJJCNQFII-UHFFFAOYSA-N Synonym: 4-bromomethyl-6,7-dimethoxycoumarin,4-bromomethyl-6,7-dimethoxy-2h-chromen-2-one,4-bromomethyl-6,7-dimethoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-6,7-dimethoxy,4-bromomethyl-6,7-dimethoxy coumarin,4-bdmc,brdmc-4,6,7,4-bromomethyl-6,7-dimethoxy-2-oxo-2h-benzopyran PubChem CID: 128870 IUPAC Name: 4-(bromomethyl)-6,7-dimethoxychromen-2-one SMILES: COC1=C(C=C2C(=C1)C(=CC(=O)O2)CBr)OC
| PubChem CID | 128870 |
|---|---|
| CAS | 88404-25-5 |
| Molecular Weight (g/mol) | 299.12 |
| MDL Number | MFCD00011570 |
| SMILES | COC1=C(C=C2C(=C1)C(=CC(=O)O2)CBr)OC |
| Synonym | 4-bromomethyl-6,7-dimethoxycoumarin,4-bromomethyl-6,7-dimethoxy-2h-chromen-2-one,4-bromomethyl-6,7-dimethoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-6,7-dimethoxy,4-bromomethyl-6,7-dimethoxy coumarin,4-bdmc,brdmc-4,6,7,4-bromomethyl-6,7-dimethoxy-2-oxo-2h-benzopyran |
| IUPAC Name | 4-(bromomethyl)-6,7-dimethoxychromen-2-one |
| InChI Key | JGODLBJJCNQFII-UHFFFAOYSA-N |
| Molecular Formula | C12H11BrO4 |
Ochratoxin A, 99+%
CAS: 303-47-9 Molecular Formula: C20H18ClNO6 Molecular Weight (g/mol): 403.82 MDL Number: MFCD00078079 InChI Key: RWQKHEORZBHNRI-BMIGLBTASA-N Synonym: ochratoxin a,antibiotic 9663,phenylalanine-ochratoxin a,3r14s-ochratoxin a,ochratoxin a-bsa conjugate from aspergillus ochraceus,--n-5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl carbonyl-3-phenylalanine,n-3r-5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl carbonyl-3-phenyl-l-alanine,unii-1779sx6luy,l-phenylalanine, n-5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1h-2-benzopyran-7-yl carbonyl-, r,ccris 2382 PubChem CID: 442530 ChEBI: CHEBI:7719 IUPAC Name: (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid SMILES: CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl
| PubChem CID | 442530 |
|---|---|
| CAS | 303-47-9 |
| Molecular Weight (g/mol) | 403.82 |
| ChEBI | CHEBI:7719 |
| MDL Number | MFCD00078079 |
| SMILES | CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl |
| Synonym | ochratoxin a,antibiotic 9663,phenylalanine-ochratoxin a,3r14s-ochratoxin a,ochratoxin a-bsa conjugate from aspergillus ochraceus,--n-5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl carbonyl-3-phenylalanine,n-3r-5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl carbonyl-3-phenyl-l-alanine,unii-1779sx6luy,l-phenylalanine, n-5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1h-2-benzopyran-7-yl carbonyl-, r,ccris 2382 |
| IUPAC Name | (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid |
| InChI Key | RWQKHEORZBHNRI-BMIGLBTASA-N |
| Molecular Formula | C20H18ClNO6 |
4-Cyanophenyl 4-n-hexylbenzoate, 99%
CAS: 50793-85-6 Molecular Formula: C20H21NO2 Molecular Weight (g/mol): 307.39 MDL Number: MFCD00600506 InChI Key: DEUWEGPRKHPNKB-UHFFFAOYSA-N Synonym: benzoic acid, 4-hexyl-, 4-cyanophenyl ester,4-cyanophenyl 4-n-hexylbenzoate,p-cyanophenyl p-hexylbenzoate,4-cyanophenyl 4-hexylbenzoate,4-hexylbenzoic acid 4-cyanophenyl,4-n-hexylbenzoic acid 4-cyanophenyl ester PubChem CID: 170907 IUPAC Name: (4-cyanophenyl) 4-hexylbenzoate SMILES: CCCCCCC1=CC=C(C=C1)C(=O)OC1=CC=C(C=C1)C#N
| PubChem CID | 170907 |
|---|---|
| CAS | 50793-85-6 |
| Molecular Weight (g/mol) | 307.39 |
| MDL Number | MFCD00600506 |
| SMILES | CCCCCCC1=CC=C(C=C1)C(=O)OC1=CC=C(C=C1)C#N |
| Synonym | benzoic acid, 4-hexyl-, 4-cyanophenyl ester,4-cyanophenyl 4-n-hexylbenzoate,p-cyanophenyl p-hexylbenzoate,4-cyanophenyl 4-hexylbenzoate,4-hexylbenzoic acid 4-cyanophenyl,4-n-hexylbenzoic acid 4-cyanophenyl ester |
| IUPAC Name | (4-cyanophenyl) 4-hexylbenzoate |
| InChI Key | DEUWEGPRKHPNKB-UHFFFAOYSA-N |
| Molecular Formula | C20H21NO2 |
Dihydrocoumarin, 99%
CAS: 119-84-6 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00006881 InChI Key: VMUXSMXIQBNMGZ-UHFFFAOYSA-N Synonym: dihydrocoumarin,3,4-dihydrocoumarin,hydrocoumarin,chroman-2-one,benzodihydropyrone,melilotin,melilotol,2-chromanone,1,2-benzodihydropyrone,melilotic lactone PubChem CID: 660 ChEBI: CHEBI:16151 IUPAC Name: 3,4-dihydrochromen-2-one SMILES: C1CC(=O)OC2=CC=CC=C21
| PubChem CID | 660 |
|---|---|
| CAS | 119-84-6 |
| Molecular Weight (g/mol) | 148.161 |
| ChEBI | CHEBI:16151 |
| MDL Number | MFCD00006881 |
| SMILES | C1CC(=O)OC2=CC=CC=C21 |
| Synonym | dihydrocoumarin,3,4-dihydrocoumarin,hydrocoumarin,chroman-2-one,benzodihydropyrone,melilotin,melilotol,2-chromanone,1,2-benzodihydropyrone,melilotic lactone |
| IUPAC Name | 3,4-dihydrochromen-2-one |
| InChI Key | VMUXSMXIQBNMGZ-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
4-Dimethylaminocinnamic acid, 97+%
CAS: 1552-96-1 Molecular Formula: C11H13NO2 Molecular Weight (g/mol): 191.23 MDL Number: MFCD00004397 InChI Key: CQNPVMCASGWEHM-VMPITWQZSA-N Synonym: 4-dimethylamino cinnamic acid,4-dimethylaminocinnamic acid,p-dimethylamino cinnamic acid,3-4-dimethylamino phenyl acrylic acid,4-n,n-dimethylamino cinnamic acid,2e-3-4-dimethylamino phenyl prop-2-enoic acid,e-3-4-dimethylaminophenyl prop-2-enoic acid,e-3-4-dimethylamino phenyl acrylic acid PubChem CID: 1540638 IUPAC Name: (E)-3-[4-(dimethylamino)phenyl]prop-2-enoic acid SMILES: CN(C)C1=CC=C(C=C1)C=CC(=O)O
| PubChem CID | 1540638 |
|---|---|
| CAS | 1552-96-1 |
| Molecular Weight (g/mol) | 191.23 |
| MDL Number | MFCD00004397 |
| SMILES | CN(C)C1=CC=C(C=C1)C=CC(=O)O |
| Synonym | 4-dimethylamino cinnamic acid,4-dimethylaminocinnamic acid,p-dimethylamino cinnamic acid,3-4-dimethylamino phenyl acrylic acid,4-n,n-dimethylamino cinnamic acid,2e-3-4-dimethylamino phenyl prop-2-enoic acid,e-3-4-dimethylaminophenyl prop-2-enoic acid,e-3-4-dimethylamino phenyl acrylic acid |
| IUPAC Name | (E)-3-[4-(dimethylamino)phenyl]prop-2-enoic acid |
| InChI Key | CQNPVMCASGWEHM-VMPITWQZSA-N |
| Molecular Formula | C11H13NO2 |
1,3-Diphenyl-1-butanone, 95%, Thermo Scientific Chemicals
CAS: 1533-20-6 Molecular Formula: C16H16O Molecular Weight (g/mol): 224.303 MDL Number: MFCD00026345 InChI Key: GIVFXLVPKFXTCU-UHFFFAOYSA-N Synonym: 1,3-diphenyl-1-butanone,3-phenylbutyrophenone,b-phenylbutyrophenone,acmc-20ap3x,1,3-diphenyl-butan-1-one,phenyl 2-phenylpropyl ketone,1-butanone, 1,3-diphenyl,2-alpha-methylbenzyl acetophenone PubChem CID: 137065 IUPAC Name: 1,3-diphenylbutan-1-one SMILES: CC(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2
| PubChem CID | 137065 |
|---|---|
| CAS | 1533-20-6 |
| Molecular Weight (g/mol) | 224.303 |
| MDL Number | MFCD00026345 |
| SMILES | CC(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2 |
| Synonym | 1,3-diphenyl-1-butanone,3-phenylbutyrophenone,b-phenylbutyrophenone,acmc-20ap3x,1,3-diphenyl-butan-1-one,phenyl 2-phenylpropyl ketone,1-butanone, 1,3-diphenyl,2-alpha-methylbenzyl acetophenone |
| IUPAC Name | 1,3-diphenylbutan-1-one |
| InChI Key | GIVFXLVPKFXTCU-UHFFFAOYSA-N |
| Molecular Formula | C16H16O |
4-Hydroxybenzylideneacetone, 97%
CAS: 3160-35-8 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00016490 InChI Key: OCNIKEFATSKIBE-NSCUHMNNSA-N Synonym: p-hydroxybenzalacetone,4-hydroxybenzylideneacetone,4-hydroxybenzal acetone,4-hydroxycinnamoylmethane,4-hydroxybenzalacetone,p-hydroxybenzylidene acetone,4-p-hydroxyphenyl-3-buten-2-one,4-4-hydroxyphenyl but-3-en-2-one,3-buten-2-one, 4-4-hydroxyphenyl,3-buten-2-one, 4-p-hydroxyphenyl PubChem CID: 796857 SMILES: CC(=O)\C=C\C1=CC=C(O)C=C1
| PubChem CID | 796857 |
|---|---|
| CAS | 3160-35-8 |
| Molecular Weight (g/mol) | 162.19 |
| MDL Number | MFCD00016490 |
| SMILES | CC(=O)\C=C\C1=CC=C(O)C=C1 |
| Synonym | p-hydroxybenzalacetone,4-hydroxybenzylideneacetone,4-hydroxybenzal acetone,4-hydroxycinnamoylmethane,4-hydroxybenzalacetone,p-hydroxybenzylidene acetone,4-p-hydroxyphenyl-3-buten-2-one,4-4-hydroxyphenyl but-3-en-2-one,3-buten-2-one, 4-4-hydroxyphenyl,3-buten-2-one, 4-p-hydroxyphenyl |
| InChI Key | OCNIKEFATSKIBE-NSCUHMNNSA-N |
| Molecular Formula | C10H10O2 |
(R)-(-)-2-Phenylpropionic acid, 97%
CAS: 7782-26-5 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00063140 InChI Key: YPGCWEMNNLXISK-SSDOTTSWSA-N Synonym: r---2-phenylpropionic acid,r-2-phenylpropanoic acid,2r-2-phenylpropanoic acid,r-hydratropic acid,--hydratropic acid,r---hydratropic acid,r---2-phenylpropionicacid,r-2-phenylpropionic acid,r-2-phenyl-propionic acid,r-2-phenyl-proprionic acid PubChem CID: 446626 ChEBI: CHEBI:43035 IUPAC Name: (2R)-2-phenylpropanoic acid SMILES: CC(C1=CC=CC=C1)C(=O)O
| PubChem CID | 446626 |
|---|---|
| CAS | 7782-26-5 |
| Molecular Weight (g/mol) | 150.177 |
| ChEBI | CHEBI:43035 |
| MDL Number | MFCD00063140 |
| SMILES | CC(C1=CC=CC=C1)C(=O)O |
| Synonym | r---2-phenylpropionic acid,r-2-phenylpropanoic acid,2r-2-phenylpropanoic acid,r-hydratropic acid,--hydratropic acid,r---hydratropic acid,r---2-phenylpropionicacid,r-2-phenylpropionic acid,r-2-phenyl-propionic acid,r-2-phenyl-proprionic acid |
| IUPAC Name | (2R)-2-phenylpropanoic acid |
| InChI Key | YPGCWEMNNLXISK-SSDOTTSWSA-N |
| Molecular Formula | C9H10O2 |
3-[4-(Benzyloxy)phenyl]propionic acid, 96%
CAS: 50463-48-4 Molecular Formula: C16H16O3 Molecular Weight (g/mol): 256.301 MDL Number: MFCD01570264 InChI Key: QTSAUVQZNADEKS-UHFFFAOYSA-N Synonym: 3-4-benzyloxyphenyl propionic acid,3-4-benzyloxy phenyl propanoic acid,3-4-benzyloxy phenyl propionic acid,benzyloxyphenylpropanoic acid,3-4-benzyloxyphenyl propanoic acid,3-4-benzyloxy-phenyl-propionic acid,benzenepropanoic acid, 4-phenylmethoxy,maybridge3_003480,4-benzyloxy benzenepropanoic acid PubChem CID: 561372 IUPAC Name: 3-(4-phenylmethoxyphenyl)propanoic acid SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)CCC(=O)O
| PubChem CID | 561372 |
|---|---|
| CAS | 50463-48-4 |
| Molecular Weight (g/mol) | 256.301 |
| MDL Number | MFCD01570264 |
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)CCC(=O)O |
| Synonym | 3-4-benzyloxyphenyl propionic acid,3-4-benzyloxy phenyl propanoic acid,3-4-benzyloxy phenyl propionic acid,benzyloxyphenylpropanoic acid,3-4-benzyloxyphenyl propanoic acid,3-4-benzyloxy-phenyl-propionic acid,benzenepropanoic acid, 4-phenylmethoxy,maybridge3_003480,4-benzyloxy benzenepropanoic acid |
| IUPAC Name | 3-(4-phenylmethoxyphenyl)propanoic acid |
| InChI Key | QTSAUVQZNADEKS-UHFFFAOYSA-N |
| Molecular Formula | C16H16O3 |
Benzoin methyl ether, 97%
CAS: 3524-62-7 Molecular Formula: C15H14O2 Molecular Weight (g/mol): 226.275 MDL Number: MFCD00008492 InChI Key: BQZJOQXSCSZQPS-UHFFFAOYSA-N Synonym: benzoin methyl ether,methyl benzoin,benzoin methyl ester,o-methylbenzoin,2-methoxy-2-phenylacetophenone,nisso cure mbo,ethanone, 2-methoxy-1,2-diphenyl,acetophenone, 2-methoxy-2-phenyl,qcu 3,alpha-methoxydeoxybenzoin PubChem CID: 98097 IUPAC Name: 2-methoxy-1,2-diphenylethanone SMILES: COC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
| PubChem CID | 98097 |
|---|---|
| CAS | 3524-62-7 |
| Molecular Weight (g/mol) | 226.275 |
| MDL Number | MFCD00008492 |
| SMILES | COC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2 |
| Synonym | benzoin methyl ether,methyl benzoin,benzoin methyl ester,o-methylbenzoin,2-methoxy-2-phenylacetophenone,nisso cure mbo,ethanone, 2-methoxy-1,2-diphenyl,acetophenone, 2-methoxy-2-phenyl,qcu 3,alpha-methoxydeoxybenzoin |
| IUPAC Name | 2-methoxy-1,2-diphenylethanone |
| InChI Key | BQZJOQXSCSZQPS-UHFFFAOYSA-N |
| Molecular Formula | C15H14O2 |
3-Methoxycinnamic acid, predominantly trans, 98+%
CAS: 1533748 MDL Number: MFCD00004386
| CAS | 1533748 |
|---|---|
| MDL Number | MFCD00004386 |
(R)-3-(Boc-amino)-3-phenylpropionic acid, 95%, Thermo Scientific Chemicals
CAS: 161024-80-2 Molecular Formula: C14H19NO4 Molecular Weight (g/mol): 265.309 MDL Number: MFCD01320859 InChI Key: JTNQFJPZRTURSI-LLVKDONJSA-N Synonym: r-n-boc-3-amino-3-phenylpropanoic acid,r-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,boc-r-3-amino-3-phenylpropionic acid,boc-beta-phe-oh,r-3-boc-amino-3-phenylpropionic acid,r-3-boc-amino-3-phenylpropanoic acid,boc-r-phenylalanine,3r-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,r-3-tert-butoxycarbonylamino-3-phenyl-propionic acid PubChem CID: 7009108 IUPAC Name: (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1
| PubChem CID | 7009108 |
|---|---|
| CAS | 161024-80-2 |
| Molecular Weight (g/mol) | 265.309 |
| MDL Number | MFCD01320859 |
| SMILES | CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1 |
| Synonym | r-n-boc-3-amino-3-phenylpropanoic acid,r-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,boc-r-3-amino-3-phenylpropionic acid,boc-beta-phe-oh,r-3-boc-amino-3-phenylpropionic acid,r-3-boc-amino-3-phenylpropanoic acid,boc-r-phenylalanine,3r-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,r-3-tert-butoxycarbonylamino-3-phenyl-propionic acid |
| IUPAC Name | (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid |
| InChI Key | JTNQFJPZRTURSI-LLVKDONJSA-N |
| Molecular Formula | C14H19NO4 |
(E)-3,4-Dihydroxybenzylideneacetone, 97%
CAS: 123694-03-1 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD00916691 InChI Key: YIFZKRGUGKLILR-UHFFFAOYSA-N Synonym: 3-buten-2-one,4-3,4-dihydroxyphenyl-, 3e,3,4-dihydroxybenzalacetone,acmc-20dpit PubChem CID: 53446072 IUPAC Name: 4-(3,4-dihydroxyphenyl)but-3-en-2-one SMILES: CC(=O)C=CC1=CC(=C(C=C1)O)O
| PubChem CID | 53446072 |
|---|---|
| CAS | 123694-03-1 |
| Molecular Weight (g/mol) | 178.187 |
| MDL Number | MFCD00916691 |
| SMILES | CC(=O)C=CC1=CC(=C(C=C1)O)O |
| Synonym | 3-buten-2-one,4-3,4-dihydroxyphenyl-, 3e,3,4-dihydroxybenzalacetone,acmc-20dpit |
| IUPAC Name | 4-(3,4-dihydroxyphenyl)but-3-en-2-one |
| InChI Key | YIFZKRGUGKLILR-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |