Cas no 7464-30-4 ( )
structure
Product Name:
CAS No:7464-30-4
MF:C13H20O8
MW:304.293105125427
CID:979609
PubChem ID:345979
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- (5,6-diacetyloxy-7-methyl-1,3-dioxepan-4-yl)methyl acetate
- DTXSID10323414
- 7464-30-4
- NSC-403965
- NSC403965
- 4-[(Acetyloxy)methyl]-7-methyl-1,3-dioxepane-5,6-diyl diacetate (non-preferred name)
- 4-[(Acetyloxy)methyl]-7-methyl-1,3-dioxepane-5,6-diyl diacetate
-
-
- Inchi： 1S/C13H20O8/c1-7-12(20-9(3)15)13(21-10(4)16)11(19-6-18-7)5-17-8(2)14/h7,11-13H,5-6H2,1-4H3
- InChI Key： SSVUWXQETHWLGB-UHFFFAOYSA-N
- SMILES： O1COC(C)C(C(C1COC(C)=O)OC(C)=O)OC(C)=O
Computed Properties
- Exact Mass: 304.1158
- Monoisotopic Mass: 304.11581759g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 21
- Rotatable Bond Count: 7
- Complexity: 394
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 97.4?2
Experimental Properties
- PSA: 97.36
Related Literature
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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