Cas no 77746-33-9 ( )
structure
Product Name:
CAS No:77746-33-9
MF:C14H16O4
MW:248.274444580078
CID:983765
PubChem ID:339398
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- 2-[4-(2-hydroxyethoxy)naphthalen-1-yl]oxyethanol
- DTXSID20320878
- NSC-366059
- NSC366059
- 77746-33-9
- SCHEMBL12603985
- DS-003855
-
-
- Inchi： 1S/C14H16O4/c15-7-9-17-13-5-6-14(18-10-8-16)12-4-2-1-3-11(12)13/h1-6,15-16H,7-10H2
- InChI Key： SBCPUTPUYMFDIZ-UHFFFAOYSA-N
- SMILES： O(CCO)C1C=CC(=C2C=CC=CC2=1)OCCO
Computed Properties
- Exact Mass: 248.10488
- Monoisotopic Mass: 248.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 210
- 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: 1.7
- Topological Polar Surface Area: 58.9?2
Experimental Properties
- PSA: 58.92
Related Literature
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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
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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