Cas no 84254-87-5 ((e)-cinnamyl 2-methylisocrotonate)
84254-87-5 structure
Product Name:(e)-cinnamyl 2-methylisocrotonate
CAS No:84254-87-5
MF:C14H16O2
MW:216.275644302368
CID:888650
PubChem ID:6432955
Update Time:2025-04-19
(e)-cinnamyl 2-methylisocrotonate Chemical and Physical Properties
Names and Identifiers
-
- (e)-cinnamyl 2-methylisocrotonate
- 3-phenylprop-2-enyl 2-methylbut-2-enoate
- (E)-Cinnamyl angelate
- KRNURAJANZKGQN-QVSSJFJDSA-N
- Cinnamyl tiglate, E-
- DTXSID701024814
- NS00089473
- 84254-87-5
- [(E)-3-phenylprop-2-enyl] (Z)-2-methylbut-2-enoate
-
- Inchi： 1S/C14H16O2/c1-3-12(2)14(15)16-11-7-10-13-8-5-4-6-9-13/h3-10H,11H2,1-2H3/b10-7+,12-3-
- InChI Key： KRNURAJANZKGQN-QVSSJFJDSA-N
- SMILES： O(C(/C(=C\C)/C)=O)C/C=C/C1C=CC=CC=1
Computed Properties
- Exact Mass: 216.115029749g/mol
- Monoisotopic Mass: 216.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 271
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 26.3?2
(e)-cinnamyl 2-methylisocrotonate Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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