Cas no 73356-07-7 (1,4-Naphthalenedione, 2-cyclododecyl-3-hydroxy-)
73356-07-7 structure
Product Name:1,4-Naphthalenedione, 2-cyclododecyl-3-hydroxy-
CAS No:73356-07-7
MF:C22H28O3
MW:340.455926895142
CID:542600
PubChem ID:44332524
Update Time:2025-04-19
1,4-Naphthalenedione, 2-cyclododecyl-3-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione, 2-cyclododecyl-3-hydroxy-
- 3-cyclododecyl-4-hydroxynaphthalene-1,2-dione
- DTXSID80658326
- 73356-07-7
- CHEMBL103916
- SCHEMBL11121475
-
- Inchi： 1S/C22H28O3/c23-20-17-14-10-11-15-18(17)21(24)22(25)19(20)16-12-8-6-4-2-1-3-5-7-9-13-16/h10-11,14-16,23H,1-9,12-13H2
- InChI Key： GLMMNSCRGZVNQA-UHFFFAOYSA-N
- SMILES： OC1C2C=CC=CC=2C(C(C=1C1CCCCCCCCCCC1)=O)=O
Computed Properties
- Exact Mass: 340.204
- Monoisotopic Mass: 340.204
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 25
- Rotatable Bond Count: 1
- Complexity: 507
- 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
- Topological Polar Surface Area: 54.4A^2
- XLogP3: 6.6
1,4-Naphthalenedione, 2-cyclododecyl-3-hydroxy- Related Literature
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1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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