Cas no 76402-21-6 ( )
structure
Product Name:
CAS No:76402-21-6
MF:C9H14O4
MW:186.205063343048
CID:982644
PubChem ID:347965
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- (3-ethoxy-3-oxopropyl) 2-methylprop-2-enoate
- DTXSID90324520
- 3-Ethoxy-3-oxopropyl 2-methylprop-2-enoate
- NSC-406912
- NSC406912
- 76402-21-6
- SCHEMBL9615474
-
-
- Inchi： 1S/C9H14O4/c1-4-12-8(10)5-6-13-9(11)7(2)3/h2,4-6H2,1,3H3
- InChI Key： XAMQPFZVAQFLEK-UHFFFAOYSA-N
- SMILES： O(C(C(=C)C)=O)CCC(=O)OCC
Computed Properties
- Exact Mass: 186.08922
- Monoisotopic Mass: 186.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 208
- 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: 1.8
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Related Literature
-
Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
-
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
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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