Cas no 7470-20-4 (2-Propenoic acid,3-(2-phenanthrenyl)-)
7470-20-4 structure
Product Name:2-Propenoic acid,3-(2-phenanthrenyl)-
CAS No:7470-20-4
MF:C17H12O2
MW:248.275984764099
CID:569898
PubChem ID:5385276
Update Time:2025-04-19
2-Propenoic acid,3-(2-phenanthrenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid,3-(2-phenanthrenyl)-
- (E)-3-phenanthren-2-ylprop-2-enoic acid
- 2-Phenanthreneacrylic acid
- SCHEMBL11816511
- NSC402384
- 7470-20-4
- NSC-402384
-
- Inchi： 1S/C17H12O2/c18-17(19)10-6-12-5-9-16-14(11-12)8-7-13-3-1-2-4-15(13)16/h1-11H,(H,18,19)/b10-6+
- InChI Key： YEEMGQYDLFLFDX-UXBLZVDNSA-N
- SMILES： OC(/C=C/C1C=CC2C(C=1)=CC=C1C=CC=CC=21)=O
Computed Properties
- Exact Mass: 248.08376
- Monoisotopic Mass: 248.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 360
- 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
- XLogP3: 4.7
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 1.284
- Boiling Point: 487.4°C at 760 mmHg
- Flash Point: 371°C
- Refractive Index: 1.758
- PSA: 37.3
- LogP: 4.09080
2-Propenoic acid,3-(2-phenanthrenyl)- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
7470-20-4 (2-Propenoic acid,3-(2-phenanthrenyl)-) Related Products
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