Cas no 35416-42-3 (2,4-Hexadienoic acid,2-phenylethyl ester)
35416-42-3 structure
Product Name:2,4-Hexadienoic acid,2-phenylethyl ester
CAS No:35416-42-3
MF:C14H16O2
MW:216.275644302368
CID:313495
PubChem ID:6438116
Update Time:2025-04-19
2,4-Hexadienoic acid,2-phenylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Hexadienoic acid,2-phenylethyl ester
- 2-phenylethyl hexa-2,4-dienoate
- 2-phenylethyl (2E,4E)-hexa-2,4-dienoate
- Phenethyl hexa-2,4-dienoate
- EINECS 252-553-4
- M3TG9C47SM
- DTXSID6067919
- 35416-42-3
- 2-Phenylethyl 2,4-hexadienoate
- 1003863-62-4
- 2-Phenylethyl (2E,4E)-2,4-hexadienoate
- 2,4-Hexadienoic acid, 2-phenylethyl ester, (2E,4E)-
- 2,4-Hexadienoic acid, 2-phenylethyl ester
-
- Inchi： 1S/C14H16O2/c1-2-3-5-10-14(15)16-12-11-13-8-6-4-7-9-13/h2-10H,11-12H2,1H3/b3-2+,10-5+
- InChI Key： PPZYQYDDSJRELL-XPQLPGEHSA-N
- SMILES： O(C(/C=C/C=C/C)=O)CCC1C=CC=CC=1
Computed Properties
- Exact Mass: 216.11508
- 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: 6
- Complexity: 248
- 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: 3.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2,4-Hexadienoic acid,2-phenylethyl ester Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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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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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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