Cas no 180205-43-0 (3-(Benzyloxy)-1-carbethoxycyclobutane-1-carboxylic acid)
180205-43-0 structure
Product Name:3-(Benzyloxy)-1-carbethoxycyclobutane-1-carboxylic acid
CAS No:180205-43-0
MF:C15H18O5
MW:278.300425052643
CID:2105719
Update Time:2023-08-03
3-(Benzyloxy)-1-carbethoxycyclobutane-1-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 3-(benzyloxy)-1-carbethoxycyclobutane-1-carboxylic acid
- 3-Benzyloxycyclobutane-1,1-dicarboxylic acid ethyl ester
- 3-(Benzyloxy)-1-carbethoxycyclobutane-1-carboxylic acid
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- Inchi： 1S/C15H18O5/c1-2-19-14(18)15(13(16)17)8-12(9-15)20-10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,16,17)
- InChI Key： VFCLMGYHBZGMBS-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C1CC(C(=O)O)(C(=O)OCC)C1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 7
- Complexity: 353
- Topological Polar Surface Area: 72.8
3-(Benzyloxy)-1-carbethoxycyclobutane-1-carboxylic acid Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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