Cas no 10503-80-7 ( )
structure
Product Name:
CAS No:10503-80-7
MF:C14H20O
MW:204.308004379272
CID:893643
PubChem ID:235359
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- spiro[4,5,6,7-tetrahydro-2H-indene-3,1'-cyclohexane]-1-one
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- Inchi： 1S/C14H20O/c15-13-10-14(8-4-1-5-9-14)12-7-3-2-6-11(12)13/h1-10H2
- InChI Key： CXAZLUPBTPWMBI-UHFFFAOYSA-N
- SMILES： O=C1C2CCCCC=2C2(C1)CCCCC2
Computed Properties
- Exact Mass: 204.1515
- Monoisotopic Mass: 204.151
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 318
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 1.05
- Boiling Point: 349.4°C at 760 mmHg
- Flash Point: 147.9°C
- Refractive Index: 1.534
- PSA: 17.07
- LogP: 3.78030
Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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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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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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