Cas no 115783-38-5 (5-(2-Carboxyethyl)-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid)
115783-38-5 structure
Product Name:5-(2-Carboxyethyl)-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
CAS No:115783-38-5
MF:C17H26O4
MW:294.385945796967
CID:173617
Update Time:2024-03-01
5-(2-Carboxyethyl)-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 1-Naphthalenepropanoicacid, 5-carboxy-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a-trimethyl-, (1S,2R,4aR,8aR)-
- 1-Naphthalenepropanoicacid, 5-carboxy-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a-trimethyl-, [1S-(1a,2b,4ab,8aa)]-
- Norhardwickiic acid
- 5-(2-Carboxyethyl)-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
-
- Inchi： 1S/C17H26O4/c1-11-7-9-17(3)12(15(20)21)5-4-6-13(17)16(11,2)10-8-14(18)19/h5,11,13H,4,6-10H2,1-3H3,(H,18,19)(H,20,21)
- InChI Key： FCJKOBAGJCMBSO-UHFFFAOYSA-N
- SMILES： OC(C1=CCCC2C1(C)CCC(C)C2(C)CCC(=O)O)=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 481
- Topological Polar Surface Area: 74.6
5-(2-Carboxyethyl)-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid 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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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