Cas no 54372-77-9 (Benzene, 1-(1E)-1-butenyl-4-methyl-)
54372-77-9 structure
Product Name:Benzene, 1-(1E)-1-butenyl-4-methyl-
CAS No:54372-77-9
MF:C11H14
MW:146.228863239288
CID:354786
Update Time:2024-01-28
Benzene, 1-(1E)-1-butenyl-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(1E)-1-butenyl-4-methyl-
- 1-but-1-enyl-4-methylbenzene
- Benzene, 1-(1E)-1-buten-1-yl-4-methyl-
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- Inchi： 1S/C11H14/c1-3-4-5-11-8-6-10(2)7-9-11/h4-9H,3H2,1-2H3/b5-4+
- InChI Key： ZULRWVHQERPKKV-SNAWJCMRSA-N
- SMILES： C1(/C=C/CC)=CC=C(C)C=C1
Computed Properties
- Exact Mass: 146.10962
- Monoisotopic Mass: 146.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 116
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
Experimental Properties
- Density: 0.896±0.06 g/cm3(Predicted)
- Boiling Point: 218.6±10.0 °C(Predicted)
- PSA: 0
- LogP: 3.41820
Benzene, 1-(1E)-1-butenyl-4-methyl- Related Literature
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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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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
54372-77-9 (Benzene, 1-(1E)-1-butenyl-4-methyl-) Related Products
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