Cas no 5257-83-0 (1,4-Naphthalenedione, 2-hydroxy-3-methoxy-)
5257-83-0 structure
Product Name:1,4-Naphthalenedione, 2-hydroxy-3-methoxy-
CAS No:5257-83-0
MF:C11H8O4
MW:204.178823471069
CID:359300
PubChem ID:135432392
Update Time:2025-04-19
1,4-Naphthalenedione, 2-hydroxy-3-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione, 2-hydroxy-3-methoxy-
- 4-hydroxy-3-methoxynaphthalene-1,2-dione
- AKOS030487752
- 2-Hydroxy-3-methoxynaphthoquinone #
- Oprea1_191834
- DTXSID20346058
- 5257-83-0
- SCHEMBL1436501
- 2-hydroxy-3-methoxynaphthalene-1,4-dione
- JNBVXNSWFXSRGS-UHFFFAOYSA-N
- 1,4-Naphthoquinone, 2-hydroxy-3-methoxy-
-
- Inchi： 1S/C11H8O4/c1-15-11-9(13)7-5-3-2-4-6(7)8(12)10(11)14/h2-5,14H,1H3
- InChI Key： JNBVXNSWFXSRGS-UHFFFAOYSA-N
- SMILES： O(C)C1=C(C(C2C=CC=CC=2C1=O)=O)O
Computed Properties
- Exact Mass: 204.04224
- Monoisotopic Mass: 204.04225873g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 343
- 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: 1.6
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- PSA: 63.6
1,4-Naphthalenedione, 2-hydroxy-3-methoxy- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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4. 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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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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