Cas no 106533-40-8 ((4Z)-4-butylidene-2,3,4,6b-tetrahydrooxireno[e][2]benzofuran-6(1aH)-one)
106533-40-8 structure
Product Name:(4Z)-4-butylidene-2,3,4,6b-tetrahydrooxireno[e][2]benzofuran-6(1aH)-one
CAS No:106533-40-8
MF:C12H14O3
MW:206.237763881683
CID:1182794
PubChem ID:5317139
Update Time:2025-04-20
(4Z)-4-butylidene-2,3,4,6b-tetrahydrooxireno[e][2]benzofuran-6(1aH)-one Chemical and Physical Properties
Names and Identifiers
-
- (4Z)-4-butylidene-2,3,4,6b-tetrahydrooxireno[e][2]benzofuran-6(1aH)-one
- (4Z)-4-butylidene-1a,2,3,6b-tetrahydrooxireno[2,3-g][2]benzofuran-6-one
- Z-6,7-Epoxyligustilide
- (Z)-4-Butylidene-2,3,4,6b-tetrahydrooxireno[2,3-e]isobenzofuran-6(1aH)-one
- 106533-40-8
- SCHEMBL14032224
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- Inchi: 1S/C12H14O3/c1-2-3-4-8-7-5-6-9-11(14-9)10(7)12(13)15-8/h4,9,11H,2-3,5-6H2,1H3/b8-4-
- InChI Key: ZCTBULGQERTBEG-YWEYNIOJSA-N
- SMILES: O1C2C3C(=O)O/C(=C\CCC)/C=3CCC12
Computed Properties
- Exact Mass: 206.09432
- Monoisotopic Mass: 206.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 378
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 38.8?2
Experimental Properties
- PSA: 38.83
(4Z)-4-butylidene-2,3,4,6b-tetrahydrooxireno[e][2]benzofuran-6(1aH)-one Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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