Cas no 496-99-1 (3,3-Dimethylcyclobutane-1,2-dicarboxylic acid)
496-99-1 structure
Product Name:3,3-Dimethylcyclobutane-1,2-dicarboxylic acid
CAS No:496-99-1
MF:C8H12O4
MW:172.178483009338
CID:2665965
Update Time:2023-08-06
3,3-Dimethylcyclobutane-1,2-dicarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 3,3-Dimethyl-1,2-cyclobutanedicarboxylic acid
- Norcaryophyllenic acid
- 3,3-Dimethylcyclobutane-1,2-dicarboxylic acid
-
- Inchi： 1S/C8H12O4/c1-8(2)3-4(6(9)10)5(8)7(11)12/h4-5H,3H2,1-2H3,(H,9,10)(H,11,12)
- InChI Key： UNCGSEXEZRPFBN-UHFFFAOYSA-N
- SMILES： OC(C1C(C(=O)O)CC1(C)C)=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 231
- Topological Polar Surface Area: 74.6
3,3-Dimethylcyclobutane-1,2-dicarboxylic acid Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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