Cas no 663617-04-7 (1,2-Acenaphthylenedione, 4,7-dimethyl-)
663617-04-7 structure
Product Name:1,2-Acenaphthylenedione, 4,7-dimethyl-
CAS No:663617-04-7
MF:C14H10O2
MW:210.228003978729
CID:1709291
PubChem ID:12079876
Update Time:2025-04-21
1,2-Acenaphthylenedione, 4,7-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Acenaphthylenedione, 4,7-dimethyl-
- 4,7-dimethylacenaphthylene-1,2-dione
- CGRHTJADUXIJQV-UHFFFAOYSA-N
- 663617-04-7
- 4,7-dimethylacenaphthenequinone
- DTXSID60477193
- SCHEMBL2090002
-
- Inchi： 1S/C14H10O2/c1-7-3-9-4-8(2)6-11-12(9)10(5-7)13(15)14(11)16/h3-6H,1-2H3
- InChI Key： CGRHTJADUXIJQV-UHFFFAOYSA-N
- SMILES： O=C1C(C2=CC(C)=CC3=CC(C)=CC1=C23)=O
Computed Properties
- Exact Mass: 210.0681
- Monoisotopic Mass: 210.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 315
- 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: 3
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
1,2-Acenaphthylenedione, 4,7-dimethyl- Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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