Cas no 70063-61-5 (1,4-Naphthalenedione,5-hydroxy-7-methoxy-)
70063-61-5 structure
Product Name:1,4-Naphthalenedione,5-hydroxy-7-methoxy-
CAS No:70063-61-5
MF:C11H8O4
MW:204.178823471069
CID:569945
PubChem ID:155459
Update Time:2025-04-19
1,4-Naphthalenedione,5-hydroxy-7-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione,5-hydroxy-7-methoxy-
- 5-hydroxy-7-methoxynaphthalene-1,4-dione
- 1,4-Naphthalenedione, 5-hydroxy-7-methoxy-
- SCHEMBL3779709
- DTXSID60220343
- 70063-61-5
-
- Inchi： 1S/C11H8O4/c1-15-6-4-7-8(12)2-3-9(13)11(7)10(14)5-6/h2-5,14H,1H3
- InChI Key： OHLFONANHBAJJF-UHFFFAOYSA-N
- SMILES： O(C)C1=CC(=C2C(C=CC(C2=C1)=O)=O)O
Computed Properties
- Exact Mass: 204.04224
- Monoisotopic Mass: 204.042
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 321
- 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: 1.9
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- Density: 1.408
- Boiling Point: 456.5°C at 760 mmHg
- Flash Point: 188.1°C
- Refractive Index: 1.628
- PSA: 63.6
1,4-Naphthalenedione,5-hydroxy-7-methoxy- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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