Cas no 65755-12-6 ( )
structure
Product Name:
CAS No:65755-12-6
MF:C13H14O
MW:186.249663829803
CID:962492
PubChem ID:349653
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-(5-methylnaphthalen-1-yl)ethanol
- NSC409487
- 65755-12-6
- 2-(5-Methylnaphthalen-1-yl)ethan-1-ol
- DTXSID90325259
- NSC-409487
-
-
- Inchi： 1S/C13H14O/c1-10-4-2-7-13-11(8-9-14)5-3-6-12(10)13/h2-7,14H,8-9H2,1H3
- InChI Key： HDDPVTVOWDHDJZ-UHFFFAOYSA-N
- SMILES： OCCC1C=CC=C2C(C)=CC=CC=12
Computed Properties
- Exact Mass: 186.10452
- Monoisotopic Mass: 186.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 178
- 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: 3.6
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
Related Literature
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
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
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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