Cas no 15814-45-6 (Benzenepropanoic acid,2-propen-1-yl ester)
15814-45-6 structure
Product Name:Benzenepropanoic acid,2-propen-1-yl ester
CAS No:15814-45-6
MF:C12H14O2
MW:190.238363742828
CID:173477
PubChem ID:85120
Update Time:2025-04-19
Benzenepropanoic acid,2-propen-1-yl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid,2-propen-1-yl ester
- 2-propen-1-yl 3-phenypropionate
- allyl 3-phenylpropionate
- Benzenepropanoic acid, 2-propenyl ester
- prop-2-en-1-yl 3-phenylpropanoate
- DTXSID3065950
- 15814-45-6
- Benzenepropanoic acid, 2-propen-1-yl ester
- 3-phenyl-propionic acid allyl ester
- XZZUAUYBSOXKLR-UHFFFAOYSA-N
- prop-2-enyl 3-phenylpropanoate
- NS00025141
- 3-Phenylpropionic acid, allyl ester
- Q65224684
- Allyl 3-phenylpropanoate #
- SCHEMBL250955
- EINECS 239-913-6
- Hydrocinnamic acid, allyl ester
-
- Inchi： 1S/C12H14O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2-7H,1,8-10H2
- InChI Key： XZZUAUYBSOXKLR-UHFFFAOYSA-N
- SMILES： O(CC=C)C(CCC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 190.09942
- Monoisotopic Mass: 190.099
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 181
- 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: 3
- Topological Polar Surface Area: 26.3A^2
Experimental Properties
- Density: 1.018
- Boiling Point: 274.3°C at 760 mmHg
- Flash Point: 115.9°C
- Refractive Index: 1.509
- PSA: 26.3
- LogP: 2.34840
Benzenepropanoic acid,2-propen-1-yl ester Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
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
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
15814-45-6 (Benzenepropanoic acid,2-propen-1-yl ester) Related Products
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