Cas no 90580-45-3 ( )
structure
Product Name:
CAS No:90580-45-3
MF:C16H22O
MW:230.345284938812
CID:994958
PubChem ID:430662
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- 3-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
- 2-Naphthalenol, [2.alpha.,3.beta.,4a.alpha.,8a.beta.]-
- NSC-280747
- DTXSID60330577
- NSC280747
- 90580-45-3
-
-
- Inchi： 1S/C16H22O/c17-16-11-14-9-5-4-8-13(14)10-15(16)12-6-2-1-3-7-12/h1-3,6-7,13-17H,4-5,8-11H2
- InChI Key： MBQJZAUCWNRGBR-UHFFFAOYSA-N
- SMILES： OC1C(C2C=CC=CC=2)CC2CCCCC2C1
Computed Properties
- Exact Mass: 230.167
- Monoisotopic Mass: 230.167
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 244
- 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: 4.3
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 1.048
- Boiling Point: 364.5°C at 760 mmHg
- Flash Point: 144.7°C
- Refractive Index: 1.552
- PSA: 20.23000
- LogP: 3.73130
Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Hui Liu,Deyong Su,Guolin Cheng,Jimin Xu,Xinyan Wang,Yuefei Hu Org. Biomol. Chem., 2010,8, 1899-1904
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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