Cas no 87532-17-0 (2-Oxepanone, 3-(benzoyloxy)-)
2-Oxepanone, 3-(benzoyloxy)- structure
Product Name:2-Oxepanone, 3-(benzoyloxy)-
CAS No:87532-17-0
MF:C13H14O4
MW:234.247864246368
CID:655322
PubChem ID:13122650
Update Time:2025-04-19
2-Oxepanone, 3-(benzoyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Oxepanone, 3-(benzoyloxy)-
- (2-oxooxepan-3-yl) benzoate
- 2-Oxooxepan-3-yl benzoate
- 87532-17-0
- DTXSID40519606
-
- Inchi： 1S/C13H14O4/c14-12(10-6-2-1-3-7-10)17-11-8-4-5-9-16-13(11)15/h1-3,6-7,11H,4-5,8-9H2
- InChI Key： DRVHCNKHDLEUHY-UHFFFAOYSA-N
- SMILES： O1C(C(CCCC1)OC(C1C=CC=CC=1)=O)=O
Computed Properties
- Exact Mass: 234.08920892g/mol
- Monoisotopic Mass: 234.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 281
- 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: 2.6
- Topological Polar Surface Area: 52.6?2
2-Oxepanone, 3-(benzoyloxy)- Related Literature
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1. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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