Cas no 57234-54-5 (1,6-Methanonaphthalene-1(2H)-carboxylic acid, octahydro-)
57234-54-5 structure
Product Name:1,6-Methanonaphthalene-1(2H)-carboxylic acid, octahydro-
CAS No:57234-54-5
MF:C12H18O2
MW:194.270123958588
CID:1602947
PubChem ID:511459
Update Time:2025-04-21
1,6-Methanonaphthalene-1(2H)-carboxylic acid, octahydro- Chemical and Physical Properties
Names and Identifiers
-
- 1,6-Methanonaphthalene-1(2H)-carboxylic acid, octahydro-
- CHEMBL3276686
- 57234-54-5
- DTXSID60333528
-
- Inchi： 1S/C12H18O2/c13-11(14)12-5-1-2-9-6-8(7-12)3-4-10(9)12/h8-10H,1-7H2,(H,13,14)
- InChI Key： IZYZZBOBZRNGBD-UHFFFAOYSA-N
- SMILES： OC(C12CCCC3CC(CCC13)C2)=O
Computed Properties
- Exact Mass: 194.13074
- Monoisotopic Mass: 194.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 274
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
1,6-Methanonaphthalene-1(2H)-carboxylic acid, octahydro- Related Literature
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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