Cas no 6994-20-3 (Hexanoic acid,3-phenyl-2-propen-1-yl ester)
6994-20-3 structure
Product Name:Hexanoic acid,3-phenyl-2-propen-1-yl ester
CAS No:6994-20-3
MF:C15H20O2
MW:232.318104743958
CID:507972
PubChem ID:5356261
Update Time:2025-04-19
Hexanoic acid,3-phenyl-2-propen-1-yl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid,3-phenyl-2-propen-1-yl ester
- CINNAMYL CAPROATE
- cinnamyl hexanoate
- Hexanoic acid,3-phenyl-2-propenyl ester
- Q63392106
- (2E)-3-Phenyl-2-propenyl hexanoate #
- Cinnamyl n-hexanoate
- NSC-53971
- Hexanoic acid, 3-phenyl-2-propenyl ester
- 6994-20-3
- BHXVENZBMFLCKE-DHZHZOJOSA-N
- [(E)-3-phenylprop-2-enyl] hexanoate
- NSC53971
-
- Inchi： 1S/C15H20O2/c1-2-3-5-12-15(16)17-13-8-11-14-9-6-4-7-10-14/h4,6-11H,2-3,5,12-13H2,1H3/b11-8+
- InChI Key： BHXVENZBMFLCKE-DHZHZOJOSA-N
- SMILES： O(C/C=C/C1C=CC=CC=1)C(CCCCC)=O
Computed Properties
- Exact Mass: 232.14600
- Monoisotopic Mass: 232.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 227
- 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: 4.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.30000
- LogP: 3.82330
Hexanoic acid,3-phenyl-2-propen-1-yl ester Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
6994-20-3 (Hexanoic acid,3-phenyl-2-propen-1-yl ester) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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