Cas no 66799-57-3 ( )
structure
Product Name:
CAS No:66799-57-3
MF:C13H9N3O2
MW:239.229462385178
CID:964686
PubChem ID:333509
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 4,5-dihydro-1H-pyrazolo[4',3':3,4]pyrido[2,1-a]isoindole-1,7-dione
- DTXSID90216916
- NSC335048
- HMS2862F08
- 4,5-Dihydro-1H-pyrazolo(4',3':3,4)pyrido(2,1-a)isoindole-1,7(2H)-dione
- 4,5-Dihydro-1H-pyrazolo[4',3':3,4]pyrido[2,1-a]isoindole-1,7(2H)-dione
- NSC-335048
- CHEMBL1532588
- JKE3T5ATM7
- 1H-PYRAZOLO(4',3':3,4)PYRIDO(2,1-A)ISOINDOLE-1,7(2H)-DIONE, 4,5-DIHYDRO-
- 66799-57-3
- NSC 335048
- NCGC00246792-01
- MLS000758522
- CHEMBL4092918
- SMR000528958
- BDBM50568051
- UNII-JKE3T5ATM7
- DS-005139
- 4,5-Dihydro-1h-pyrazolo(4,3:3,4)pyrido(2,1-a)isoindole-1,7(2h)-dione
-
-
- Inchi： 1S/C13H9N3O2/c17-12-10-9(14-15-12)5-6-16-11(10)7-3-1-2-4-8(7)13(16)18/h1-4,18H,5-6H2
- InChI Key： GOSZMUKZLYAKJV-UHFFFAOYSA-N
- SMILES： OC1=C2C=CC=CC2=C2C3C(N=NC=3CCN21)=O
Computed Properties
- Exact Mass: 239.069476538g/mol
- Monoisotopic Mass: 239.069476538g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 471
- 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: 1.9
- Topological Polar Surface Area: 67?2
Related Literature
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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