Cas no 59553-50-3 (2-Naphthaleneaceticacid, decahydro-a,4a,8-trimethyl-7-oxo-)
59553-50-3 structure
Product Name:2-Naphthaleneaceticacid, decahydro-a,4a,8-trimethyl-7-oxo-
CAS No:59553-50-3
MF:C15H24O3
MW:252.349265098572
CID:386473
PubChem ID:315417
Update Time:2025-04-19
2-Naphthaleneaceticacid, decahydro-a,4a,8-trimethyl-7-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthaleneaceticacid, decahydro-a,4a,8-trimethyl-7-oxo-
- 2-(4a,8-dimethyl-7-oxo-1,2,3,4,5,6,8,8a-octahydronaphthalen-2-yl)propanoic acid
- 2-(4a,8-Dimethyl-7-oxodecahydro-2-naphthalenyl)propanoic acid
- AC1L7RO3
- NSC240611
- 2-(4a,8-Dimethyl-7-oxodecahydro-2-naphthalenyl)propanoic acid #
- DTXSID90311238
- 2-Naphthaleneacetic acid, decahydro-.alpha.,4a,8-trimethyl-7-oxo-, [2R-[2.alpha.(S*),4a.alpha.,8.alpha.,8a.alpha.]]-
- 59553-50-3
- WXRFPOURRUGJGZ-UHFFFAOYSA-N
- NSC-240611
-
- Inchi: 1S/C15H24O3/c1-9(14(17)18)11-4-6-15(3)7-5-13(16)10(2)12(15)8-11/h9-12H,4-8H2,1-3H3,(H,17,18)
- InChI Key: WXRFPOURRUGJGZ-UHFFFAOYSA-N
- SMILES: O=C1CCC2(C)CCC(C(C(=O)O)C)CC2C1C
Computed Properties
- Exact Mass: 252.17262
- Monoisotopic Mass: 252.17254462g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 363
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
- LogP: 3.12870
2-Naphthaleneaceticacid, decahydro-a,4a,8-trimethyl-7-oxo- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
59553-50-3 (2-Naphthaleneaceticacid, decahydro-a,4a,8-trimethyl-7-oxo-) Related Products
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