Cas no 804440-23-1 (1,4-Dioxaspiro[4.5]decane-7-propanoicacid, 8-methyl-)
![1,4-Dioxaspiro[4.5]decane-7-propanoicacid, 8-methyl- structure](https://ossimg.kuujia.com/scimg/804500/804440-23-1x500.png)
804440-23-1 structure
Product Name:1,4-Dioxaspiro[4.5]decane-7-propanoicacid, 8-methyl-
CAS No:804440-23-1
MF:C12H20O4
MW:228.284804344177
CID:714303
PubChem ID:45098037
Update Time:2025-04-19
1,4-Dioxaspiro[4.5]decane-7-propanoicacid, 8-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Dioxaspiro[4.5]decane-7-propanoicacid, 8-methyl-
- 1,4-Dioxaspiro[4.5]decane-7-propanoicacid,8-methyl-(9CI)
- 3-(8-Methyl-1,4-dioxaspiro[4.5]decan-7-yl)propanoic acid
- DTXSID60667653
- 804440-23-1
-
- Inchi： 1S/C12H20O4/c1-9-4-5-12(15-6-7-16-12)8-10(9)2-3-11(13)14/h9-10H,2-8H2,1H3,(H,13,14)
- InChI Key： LAEICTPUBXBEED-UHFFFAOYSA-N
- SMILES： O1CCOC21CCC(C)C(CCC(=O)O)C2
Computed Properties
- Exact Mass: 228.136
- Monoisotopic Mass: 228.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 258
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 55.8A^2
- XLogP3: 1.4
1,4-Dioxaspiro[4.5]decane-7-propanoicacid, 8-methyl- Related Literature
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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