Cas no 1451-36-1 (2-Naphthalenecarboxylicacid, 8-ethenyl-3,4,4a,5,6,7,8,8a-octahydro-5-methylene- (9CI))
1451-36-1 structure
Product Name:2-Naphthalenecarboxylicacid, 8-ethenyl-3,4,4a,5,6,7,8,8a-octahydro-5-methylene- (9CI)
CAS No:1451-36-1
MF:C14H18O2
MW:218.291524410248
CID:159214
PubChem ID:562404
Update Time:2025-04-19
2-Naphthalenecarboxylicacid, 8-ethenyl-3,4,4a,5,6,7,8,8a-octahydro-5-methylene- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenecarboxylicacid, 8-ethenyl-3,4,4a,5,6,7,8,8a-octahydro-5-methylene- (9CI)
- 3,4,4a,5,6,7,8,8a-Octahydro-5-methylene-8-vinyl-2-naphthoic acid
- 8-ethenyl-5-methylidene-4,4a,6,7,8,8a-hexahydro-3H-naphthalene-2-carboxylic acid
- 2-Naphthoicacid, 3,4,4a,5,6,7,8,8a-octahydro-5-methylene-8-vinyl- (7CI,8CI)
- Khusilicacid
- Khusiloic acid
- Khusilic acid
- 8-Ethenyl-3,4,4a,5,6,7,8,8a-octahydro-5-methylene-2-naphthalenecarboxylic acid
- OBKSUSLJGNFZDQ-UHFFFAOYSA-N
- 2-Naphthalenecarboxylic acid, 8-ethenyl-3,4,4a,5,6,7,8,8a-octahydro-5-methylene-
- 2-Naphthoic acid, 3,4,4a,5,6,7,8,8a-octahydro-5-methylene-8-vinyl-
- 1451-36-1
- 5-Methylene-8-vinyl-3,4,4a,5,6,7,8,8a-octahydro-2-naphthalenecarboxylic acid #
- DTXSID00340195
-
- Inchi： 1S/C14H18O2/c1-3-10-5-4-9(2)12-7-6-11(14(15)16)8-13(10)12/h3,8,10,12-13H,1-2,4-7H2,(H,15,16)
- InChI Key： OBKSUSLJGNFZDQ-UHFFFAOYSA-N
- SMILES： OC(C1CCC2C(=C)CCC(C=C)C2C=1)=O
Computed Properties
- Exact Mass: 272.08309
- Monoisotopic Mass: 218.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 365
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 52.54
2-Naphthalenecarboxylicacid, 8-ethenyl-3,4,4a,5,6,7,8,8a-octahydro-5-methylene- (9CI) Related Literature
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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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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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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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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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