Cas no 62784-43-4 (1,4-Naphthalenedione, 5-ethyl-)
62784-43-4 structure
Product Name:1,4-Naphthalenedione, 5-ethyl-
CAS No:62784-43-4
MF:C12H10O2
MW:186.206603527069
CID:431462
PubChem ID:12336397
Update Time:2025-04-19
1,4-Naphthalenedione, 5-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione, 5-ethyl-
- 5-ethylnaphthalene-1,4-dione
- AKOS006321789
- 62784-43-4
- SCHEMBL19646698
- DTXSID50491409
-
- Inchi： 1S/C12H10O2/c1-2-8-4-3-5-9-10(13)6-7-11(14)12(8)9/h3-7H,2H2,1H3
- InChI Key： CMYZVVRBSAQGIQ-UHFFFAOYSA-N
- SMILES： O=C1C=CC(C2=CC=CC(CC)=C21)=O
Computed Properties
- Exact Mass: 186.0681
- Monoisotopic Mass: 186.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 291
- 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: 34.1?2
Experimental Properties
- PSA: 34.14
1,4-Naphthalenedione, 5-ethyl- Related Literature
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
62784-43-4 (1,4-Naphthalenedione, 5-ethyl-) Related Products
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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