Cas no 62452-68-0 (Naphtho[2,3-b]furan-4,9-dione, 2-butyl-)
![Naphtho[2,3-b]furan-4,9-dione, 2-butyl- structure](https://ossimg.kuujia.com/scimg/62500/62452-68-0x500.png)
62452-68-0 structure
Product Name:Naphtho[2,3-b]furan-4,9-dione, 2-butyl-
CAS No:62452-68-0
MF:C16H14O3
MW:254.280564785004
CID:444417
PubChem ID:10868833
Update Time:2025-04-19
Naphtho[2,3-b]furan-4,9-dione, 2-butyl- Chemical and Physical Properties
Names and Identifiers
-
- Naphtho[2,3-b]furan-4,9-dione, 2-butyl-
- 2-butylbenzo[f][1]benzofuran-4,9-dione
- 62452-68-0
- DTXSID80446528
- SCHEMBL10068408
-
- Inchi： 1S/C16H14O3/c1-2-3-6-10-9-13-14(17)11-7-4-5-8-12(11)15(18)16(13)19-10/h4-5,7-9H,2-3,6H2,1H3
- InChI Key： QMJCSBGORWODMQ-UHFFFAOYSA-N
- SMILES： O1C2C(C3C=CC=CC=3C(C=2C=C1CCCC)=O)=O
Computed Properties
- Exact Mass: 254.09432
- Monoisotopic Mass: 254.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 376
- 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: 4
- Topological Polar Surface Area: 47.3?2
Experimental Properties
- PSA: 47.28
Naphtho[2,3-b]furan-4,9-dione, 2-butyl- Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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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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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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