Cas no 18012-57-2 (2-Naphthoicacid, 1,2b,3,4,4a,5,6,7,8,8a-decahydro-8a,8ab-dihydroxy-4aa-methyl- (8CI))
18012-57-2 structure
Product Name:2-Naphthoicacid, 1,2b,3,4,4a,5,6,7,8,8a-decahydro-8a,8ab-dihydroxy-4aa-methyl- (8CI)
CAS No:18012-57-2
MF:C12H20O4
MW:228.284804344177
CID:236583
PubChem ID:317037
Update Time:2025-04-19
2-Naphthoicacid, 1,2b,3,4,4a,5,6,7,8,8a-decahydro-8a,8ab-dihydroxy-4aa-methyl- (8CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthoicacid, 1,2b,3,4,4a,5,6,7,8,8a-decahydro-8a,8ab-dihydroxy-4aa-methyl- (8CI)
- 8,8a-dihydroxy-4a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid
- AC1L7V65
- NSC246167
- NSC-246167
- DTXSID00311880
- 18012-57-2
-
- Inchi： 1S/C12H20O4/c1-11-5-2-3-9(13)12(11,16)7-8(4-6-11)10(14)15/h8-9,13,16H,2-7H2,1H3,(H,14,15)
- InChI Key： WWJUOYQDFLJRQP-UHFFFAOYSA-N
- SMILES： OC12C(CCCC1(C)CCC(C(=O)O)C2)O
Computed Properties
- Exact Mass: 228.1362
- Monoisotopic Mass: 228.13615911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 303
- 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: 0.7
- Topological Polar Surface Area: 77.8?2
Experimental Properties
- PSA: 77.76
- LogP: 1.15330
2-Naphthoicacid, 1,2b,3,4,4a,5,6,7,8,8a-decahydro-8a,8ab-dihydroxy-4aa-methyl- (8CI) Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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