Cas no 15199-05-0 (4H-Pyrrolo[3,4-d]pyrimidin-4-one,6-acetyl-3,5,6,7-tetrahydro-)
![4H-Pyrrolo[3,4-d]pyrimidin-4-one,6-acetyl-3,5,6,7-tetrahydro- structure](https://ossimg.kuujia.com/scimg/15500/15199-05-0x500.png)
15199-05-0 structure
Product Name:4H-Pyrrolo[3,4-d]pyrimidin-4-one,6-acetyl-3,5,6,7-tetrahydro-
CAS No:15199-05-0
MF:C8H9N3O2
MW:179.175961256027
CID:220977
PubChem ID:135478718
Update Time:2025-04-19
4H-Pyrrolo[3,4-d]pyrimidin-4-one,6-acetyl-3,5,6,7-tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- 4H-Pyrrolo[3,4-d]pyrimidin-4-one,6-acetyl-3,5,6,7-tetrahydro-
- 6-acetyl-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-4-one
- 6-acetyl-1,5,6,7-tetrahydro-4h-pyrrolo[3,4-d]pyrimidin-4-one
- 6-acetyl-3,5,6,7-tetrahydro-pyrrolo[3,4-d]pyrimidin-4-one
- 6-Acetyl-4-hydroxy-6,7-dihydro-5H-pyrrolo< 3,4-d> pyrimidin
- AC1L6RIR
- AC1Q5KIN
- AG-K-89120
- AR-1H0766
- CTK4C7277
- NSC116528
- DTXSID10297540
- NSC-116528
- 6-acetyl-3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-one
- 15199-05-0
- 6-Acetyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one
-
- Inchi： 1S/C8H9N3O2/c1-5(12)11-2-6-7(3-11)9-4-10-8(6)13/h4H,2-3H2,1H3,(H,9,10,13)
- InChI Key： OIBUUQWRIGBCOA-UHFFFAOYSA-N
- SMILES： O=C1C2=C(CN(C(C)=O)C2)N=CN1
Computed Properties
- Exact Mass: 179.06957
- Monoisotopic Mass: 179.069477
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 343
- 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
- Topological Polar Surface Area: 61.8
- XLogP3: -1.8
Experimental Properties
- Density: 1.51
- Boiling Point: 412.8°C at 760 mmHg
- Flash Point: 203.4°C
- Refractive Index: 1.704
- PSA: 61.77
4H-Pyrrolo[3,4-d]pyrimidin-4-one,6-acetyl-3,5,6,7-tetrahydro- Related Literature
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
15199-05-0 (4H-Pyrrolo[3,4-d]pyrimidin-4-one,6-acetyl-3,5,6,7-tetrahydro-) Related Products
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