Cas no 15127-94-3 (1,4-Naphthalenedione, 5-hydroxy-2-methoxy-)
15127-94-3 structure
Product Name:1,4-Naphthalenedione, 5-hydroxy-2-methoxy-
CAS No:15127-94-3
MF:C11H8O4
MW:204.178823471069
CID:96504
PubChem ID:10104346
Update Time:2025-04-18
1,4-Naphthalenedione, 5-hydroxy-2-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione, 5-hydroxy-2-methoxy-
- 5-hydroxy-2-methoxynaphthalene-1,4-dione
- SCHEMBL5175513
- 15127-94-3
- DTXSID20435638
- 2-Methoxyjuglone
- CHEMBL480099
- 5-hydroxy-2-methoxynaphthoquinone
- 5-hydroxy-2-methoxy-1,4-naphthoquinone
-
- Inchi： 1S/C11H8O4/c1-15-9-5-8(13)10-6(11(9)14)3-2-4-7(10)12/h2-5,12H,1H3
- InChI Key： GATGZQSBJAZYRT-UHFFFAOYSA-N
- SMILES： O(C)C1=CC(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: 332
- 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: 1.5
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- PSA: 63.6
1,4-Naphthalenedione, 5-hydroxy-2-methoxy- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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