Cas no 4134-20-7 (Hexanoic acid,2-(phenylmethylene)-)
4134-20-7 structure
Product Name:Hexanoic acid,2-(phenylmethylene)-
CAS No:4134-20-7
MF:C13H16O2
MW:204.264944076538
CID:333662
PubChem ID:5354388
Update Time:2025-04-19
Hexanoic acid,2-(phenylmethylene)- Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid,2-(phenylmethylene)-
- (2E)-2-benzylidenehexanoic acid
- AC1NS5IO
- NSC8486
- NSC-8486
- SureCN1786246
- SCHEMBL1786246
- (e)-2-benzylidenehexanoic acid
- DTXSID90417789
- 4134-20-7
-
- Inchi： 1S/C13H16O2/c1-2-3-9-12(13(14)15)10-11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,14,15)/b12-10+
- InChI Key： RQQOKGOWIHSMCK-ZRDIBKRKSA-N
- SMILES： OC(/C(=C/C1C=CC=CC=1)/CCCC)=O
Computed Properties
- Exact Mass: 204.11508
- Monoisotopic Mass: 204.11503
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- 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: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 37.3
Experimental Properties
- Density: 1.07
- Boiling Point: 332°Cat760mmHg
- Flash Point: 235.5°C
- Refractive Index: 1.564
- PSA: 37.3
- LogP: 3.34480
Hexanoic acid,2-(phenylmethylene)- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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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
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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