Cas no 93903-48-1 ( )
structure
Product Name:
CAS No:93903-48-1
MF:C18H20O3
MW:284.349605560303
CID:1000375
PubChem ID:351886
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- propan-2-yl 2-(4-phenylphenoxy)propanoate
- Oprea1_754631
- 93903-48-1
- NSC523931
- DTXSID00326095
- NSC-523931
-
-
- Inchi： 1S/C18H20O3/c1-13(2)20-18(19)14(3)21-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14H,1-3H3
- InChI Key： XVNGFFLLEYHNRE-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1)C1C=CC=CC=1)C(C)C(=O)OC(C)C
Computed Properties
- Exact Mass: 284.14124450g/mol
- Monoisotopic Mass: 284.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 312
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.6
- Topological Polar Surface Area: 35.5?2
Related Literature
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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