Cas no 111917-09-0 (5-hydroxypentyl 3-phenylprop-2-enoate)
111917-09-0 structure
Product Name:5-hydroxypentyl 3-phenylprop-2-enoate
CAS No:111917-09-0
MF:C14H18O3
MW:234.290924549103
CID:2607582
PubChem ID:71335867
Update Time:2025-04-21
5-hydroxypentyl 3-phenylprop-2-enoate Chemical and Physical Properties
Names and Identifiers
-
- 5-hydroxypentyl 3-phenylprop-2-enoate
- 111917-09-0
- DTXSID30763757
-
- Inchi： 1S/C14H18O3/c15-11-5-2-6-12-17-14(16)10-9-13-7-3-1-4-8-13/h1,3-4,7-10,15H,2,5-6,11-12H2
- InChI Key： RXSKCHNCSFFPEB-UHFFFAOYSA-N
- SMILES： O(C(C=CC1C=CC=CC=1)=O)CCCCCO
Computed Properties
- Exact Mass: 234.125594432Da
- Monoisotopic Mass: 234.125594432Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 230
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3
- Topological Polar Surface Area: 46.5?2
5-hydroxypentyl 3-phenylprop-2-enoate Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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