Cas no 105952-22-5 (2,4-Hexadienoic acid,6-phenyl-, (E,E)- (9CI))
105952-22-5 structure
Product Name:2,4-Hexadienoic acid,6-phenyl-, (E,E)- (9CI)
CAS No:105952-22-5
MF:C12H12O2
MW:188.222483634949
CID:194277
PubChem ID:6447869
Update Time:2025-04-19
2,4-Hexadienoic acid,6-phenyl-, (E,E)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Hexadienoic acid,6-phenyl-, (E,E)- (9CI)
- (2E,4E)-6-phenylhexa-2,4-dienoic acid
- (E,E)-6-Phenyl-2,4-hexadienoic acid
- 2,4-Hexadienoic acid, 6-phenyl-, (E,E)-
- 105952-22-5
-
- Inchi： 1S/C12H12O2/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11/h1-8,10H,9H2,(H,13,14)/b5-2+,10-6+
- InChI Key： BKRJTTFJCFYPBQ-SUWMZURFSA-N
- SMILES： OC(/C=C/C=C/CC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 188.08373
- Monoisotopic Mass: 188.08373
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 223
- 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
- Topological Polar Surface Area: 37.3
- XLogP3: 2.8
Experimental Properties
- Density: 1.106
- Boiling Point: 383.9°Cat760mmHg
- Flash Point: 282.5°C
- Refractive Index: 1.572
- PSA: 37.30000
- LogP: 2.42610
2,4-Hexadienoic acid,6-phenyl-, (E,E)- (9CI) Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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