Cas no 91776-49-7 (1,4-Naphthalenedione,5-hydroxy-2,7-dimethoxy-6-methyl-)
91776-49-7 structure
Product Name:1,4-Naphthalenedione,5-hydroxy-2,7-dimethoxy-6-methyl-
CAS No:91776-49-7
MF:C13H12O5
MW:248.231384277344
CID:807457
PubChem ID:192231
Update Time:2025-04-19
1,4-Naphthalenedione,5-hydroxy-2,7-dimethoxy-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione,5-hydroxy-2,7-dimethoxy-6-methyl-
- 5-hydroxy-2,7-dimethoxy-6-methylnaphthalene-1,4-dione
- misakimycin
- DTXSID70238691
- 5-Hydroxy-2,7-dimethoxy-6-methyl-1,4-naphthoquinone
- CHEBI:199390
- SCHEMBL9551048
- 91776-49-7
- AKOS030556304
- 1,4-Naphthalenedione, 5-hydroxy-2,7-dimethoxy-6-methyl-
- CHEMBL4873261
- P 23924CR
-
- Inchi： 1S/C13H12O5/c1-6-9(17-2)4-7-11(12(6)15)8(14)5-10(18-3)13(7)16/h4-5,15H,1-3H3
- InChI Key： GWPDLTIZFFIWSZ-UHFFFAOYSA-N
- SMILES： O(C)C1=CC2C(C(=CC(C=2C(=C1C)O)=O)OC)=O
Computed Properties
- Exact Mass: 248.068
- Monoisotopic Mass: 248.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 400
- 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: 2.2
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- Density: 1.36
- Boiling Point: 514.6°Cat760mmHg
- Flash Point: 202.7°C
- Refractive Index: 1.598
1,4-Naphthalenedione,5-hydroxy-2,7-dimethoxy-6-methyl- Security Information
- Signal Word：Warning
- Storage Condition：Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
1,4-Naphthalenedione,5-hydroxy-2,7-dimethoxy-6-methyl- Related Literature
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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
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
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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