Cas no 100117-70-2 (Phenol, 4-methoxy-2-(2-propenyl)-, acetate)
100117-70-2 structure
Product Name:Phenol, 4-methoxy-2-(2-propenyl)-, acetate
CAS No:100117-70-2
MF:C12H14O3
MW:206.237763881683
CID:1125405
Update Time:2024-07-27
Phenol, 4-methoxy-2-(2-propenyl)-, acetate Chemical and Physical Properties
Names and Identifiers
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- Phenol, 4-methoxy-2-(2-propenyl)-, acetate
- Phenol, 4-methoxy-2-(2-propen-1-yl)-, 1-acetate
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- Inchi： 1S/C12H14O3/c1-4-5-10-8-11(14-3)6-7-12(10)15-9(2)13/h4,6-8H,1,5H2,2-3H3
- InChI Key： QBYNWTZKNZUBMJ-UHFFFAOYSA-N
- SMILES： C1(OC(=O)C)=CC=C(OC)C=C1CC=C
Computed Properties
- Exact Mass: 206.094294g/mol
- Monoisotopic Mass: 206.094294g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 225
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 206.24g/mol
- XLogP3: 2.7
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- Density: 1.055±0.06 g/cm3(Predicted)
- Boiling Point: 140-142 °C(Press: 10 Torr)
Phenol, 4-methoxy-2-(2-propenyl)-, acetate Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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