Cas no 5472-47-9 ( )
structure
Product Name:
CAS No:5472-47-9
MF:C15H18O2
MW:230.302224636078
CID:942717
PubChem ID:231683
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-cycloheptylidene-2-phenylacetic acid
- AC1L5M88
- AR-1I2896
- CTK5A2450
- cycloheptylidene(phenyl)acetic acid
- NSC28302
- NSC-28302
- SureCN7743123
- 5472-47-9
- SCHEMBL7743123
- DTXSID70282831
-
-
- Inchi： 1S/C15H18O2/c16-15(17)14(13-10-6-3-7-11-13)12-8-4-1-2-5-9-12/h3,6-7,10-11H,1-2,4-5,8-9H2,(H,16,17)
- InChI Key： URANACQTTAQLQH-UHFFFAOYSA-N
- SMILES： OC(/C(/C1C=CC=CC=1)=C1\CCCCCC\1)=O
Computed Properties
- Exact Mass: 230.13100
- Monoisotopic Mass: 230.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 288
- 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
- XLogP3: 4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 1.115
- Boiling Point: 387.3°C at 760 mmHg
- Flash Point: 285.6°C
- Refractive Index: 1.57
- PSA: 37.30000
- LogP: 3.87900
Related Literature
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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