Cas no 101944-79-0 (Butanoic acid, 4,4,4-trimethoxy-, ethyl ester)
101944-79-0 structure
Product Name:Butanoic acid, 4,4,4-trimethoxy-, ethyl ester
CAS No:101944-79-0
MF:C9H18O5
MW:206.236223697662
CID:1131372
PubChem ID:13452376
Update Time:2025-04-20
Butanoic acid, 4,4,4-trimethoxy-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 4,4,4-trimethoxy-, ethyl ester
- ethyl 4,4,4-trimethoxybutanoate
- 101944-79-0
- DTXSID50541256
-
- Inchi： 1S/C9H18O5/c1-5-14-8(10)6-7-9(11-2,12-3)13-4/h5-7H2,1-4H3
- InChI Key： AHHOVTMOYLILKA-UHFFFAOYSA-N
- SMILES： O(C)C(CCC(=O)OCC)(OC)OC
Computed Properties
- Exact Mass: 206.115424g/mol
- Monoisotopic Mass: 206.115424g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 8
- Complexity: 156
- 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
- Molecular Weight: 206.24g/mol
- XLogP3: 0.4
- Topological Polar Surface Area: 54?2
Butanoic acid, 4,4,4-trimethoxy-, ethyl ester Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
101944-79-0 (Butanoic acid, 4,4,4-trimethoxy-, ethyl ester) Related Products
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