| 2D Structure | |
| CID | 62098 |
| Target | CYP1A2 , CYP2C19 , CYP2C9 , CYP3A4 |
| IUPAC Name | 4-(1,3-benzodioxol-5-yl)butan-2-one |
| InChI | InChI=1S/C11H12O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h4-6H,2-3,7H2,1H3 |
| InChI Key | TZJLGGWGVLADDN-UHFFFAOYSA-N |
| Canonical SMILES | CC(=O)CCC1=CC2=C(C=C1)OCO2 |
| Isomeric SMILES | CC(=O)CCC1=CC2=C(C=C1)OCO2 |
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.21 |
| synonyms | ['4-(3,4-Methylenedioxyphenyl)-2-butanone', '4-(1,3-Benzodioxol-5-yl)butan-2-one', 'DTXSID0047161', '081VVC9H34', 'NSC-405365', 'DTXCID8027161', '4-(2H-1,3-benzodioxol-5-yl)butan-2-one', '2-BUTANONE, 4-(1,3-BENZODIOXOL-5-YL)', '4-(3,4-METHYLENEDIOXYPHENYL)-2-BUTANONE [FHFI]', '259-630-1', 'PIPERONYL ACETONE', '55418-52-5', 'Piperonylacetone', '4-(1,3-Benzodioxol-5-yl)-2-butanone', '2-Butanone, 4-(1,3-benzodioxol-5-yl)-', 'FEMA No. 2701', '3,4-Methylenedioxybenzylacetone', '4-(Benzo[d][1,3]dioxol-5-yl)butan-2-one', '4-(3,4-Methylenedioxy)phenyl-2-butanone', '2-Butanone, 4-[1,3-benzodioxol-5-yl]-', 'UNII-081VVC9H34', 'Heliotropylacetone', 'MFCD00016910', 'SCHEMBL7406', 'CHEMBL3184992', 'FEMA 2701', 'CHEBI:173930', '2-Butanone,3-benzodioxol-5-yl)-', 'ALBB-023550', 'Tox21_302658', 'NSC405365', 's6139', 'STK735570', 'AKOS001021134', 'HY-W027872', '4-(1,3-dioxaindan-5-yl)butan-2-one', 's11734', 'NCGC00256806-01', 'AS-15349', '4-(1,3-Benzodioxol-5-yl)-2-butanone #', 'CAS-55418-52-5', 'DB-052726', 'CS-0071896', 'NS00013158', '4-[3,4-(methylenedioxy) phenyl]butan-2-one', 'EN300-01368', '4-(3,4-Methylenedioxyphenyl)-2-butanone, 9CI', 'A830635', 'SR-01000523985', '4-(3,4-Methylenedioxyphenyl)-2-butanone, >=99%', 'SR-01000523985-1', 'Q27236344', 'Z56795046'] |
From Pubchem