Cas no 20116-66-9 (2,3-dihydro-6-methyl-1,4-Phthalazinedione)
20116-66-9 structure
Product Name:2,3-dihydro-6-methyl-1,4-Phthalazinedione
CAS No:20116-66-9
MF:C9H8N2O2
MW:176.172021865845
CID:1108659
PubChem ID:11457990
Update Time:2025-04-20
2,3-dihydro-6-methyl-1,4-Phthalazinedione Chemical and Physical Properties
Names and Identifiers
-
- 2,3-dihydro-6-methyl-1,4-Phthalazinedione
- 6-methyl-2,3-dihydrophthalazine-1,4-dione
- DTXSID60466461
- 6-Methyl-2,3-dihydro-phthalazine-1,4-dione
- 20116-66-9
- SCHEMBL2462837
- CS-0529355
- YGNIHUPLYZIWOL-UHFFFAOYSA-N
-
- Inchi： 1S/C9H8N2O2/c1-5-2-3-6-7(4-5)9(13)11-10-8(6)12/h2-4H,1H3,(H,10,12)(H,11,13)
- InChI Key： YGNIHUPLYZIWOL-UHFFFAOYSA-N
- SMILES： O=C1C2C=C(C)C=CC=2C(NN1)=O
Computed Properties
- Exact Mass: 176.05864
- Monoisotopic Mass: 176.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 252
- 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: 0.8
- Topological Polar Surface Area: 58.2?2
Experimental Properties
- PSA: 58.2
2,3-dihydro-6-methyl-1,4-Phthalazinedione Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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