Cas no 571-63-1 (1,4-Naphthalenedione, 5-methyl-)
571-63-1 structure
Product Name:1,4-Naphthalenedione, 5-methyl-
CAS No:571-63-1
MF:C11H8O2
MW:172.180023193359
CID:346328
PubChem ID:12280997
Update Time:2025-04-19
1,4-Naphthalenedione, 5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione, 5-methyl-
- 5-methylnaphthalene-1,4-dione
- AKOS006290964
- SCHEMBL7811584
- HVEQLLXOVCUBPR-UHFFFAOYSA-N
- 571-63-1
- 5-Methyl-1,4-naphthoquinone
- DTXSID70484010
-
- Inchi： 1S/C11H8O2/c1-7-3-2-4-8-9(12)5-6-10(13)11(7)8/h2-6H,1H3
- InChI Key： HVEQLLXOVCUBPR-UHFFFAOYSA-N
- SMILES： O=C1C=CC(C2=CC=CC(C)=C21)=O
Computed Properties
- Exact Mass: 172.05244
- Monoisotopic Mass: 172.052429494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 278
- 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: 1.8
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
1,4-Naphthalenedione, 5-methyl- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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