Cas no 62784-44-5 (1,2-Naphthalenedione, 5-ethyl-)
62784-44-5 structure
Product Name:1,2-Naphthalenedione, 5-ethyl-
CAS No:62784-44-5
MF:C12H10O2
MW:186.206603527069
CID:431461
PubChem ID:12336404
Update Time:2025-04-19
1,2-Naphthalenedione, 5-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Naphthalenedione, 5-ethyl-
- 5-ethylnaphthalene-1,2-dione
- AKOS006321574
- 62784-44-5
- DTXSID00491414
-
- Inchi： 1S/C12H10O2/c1-2-8-4-3-5-10-9(8)6-7-11(13)12(10)14/h3-7H,2H2,1H3
- InChI Key： SXYCAUXHYRSOFV-UHFFFAOYSA-N
- SMILES： O=C1C(C=CC2C1=CC=CC=2CC)=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: 2.3
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
1,2-Naphthalenedione, 5-ethyl- Related Literature
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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