Cas no 57601-69-1 (1(4H)-Naphthalenone, 2-hydroxy-4,4,7-trimethyl-)
57601-69-1 structure
Product Name:1(4H)-Naphthalenone, 2-hydroxy-4,4,7-trimethyl-
CAS No:57601-69-1
MF:C13H14O2
MW:202.249063968658
CID:344847
PubChem ID:14520645
Update Time:2025-04-19
1(4H)-Naphthalenone, 2-hydroxy-4,4,7-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1(4H)-Naphthalenone, 2-hydroxy-4,4,7-trimethyl-
- 2-hydroxy-4,4,7-trimethylnaphthalen-1-one
- 2-Hydroxy-4,4,7-trimethylnaphthalen-1(4H)-one
- DTXSID60561243
- 57601-69-1
-
- Inchi： 1S/C13H14O2/c1-8-4-5-10-9(6-8)12(15)11(14)7-13(10,2)3/h4-7,14H,1-3H3
- InChI Key： PSOJVDZITJYPQJ-UHFFFAOYSA-N
- SMILES： OC1C(C2C=C(C)C=CC=2C(C)(C)C=1)=O
Computed Properties
- Exact Mass: 202.09942
- Monoisotopic Mass: 202.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 315
- 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: 3.3
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
1(4H)-Naphthalenone, 2-hydroxy-4,4,7-trimethyl- Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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