Cas no 118160-07-9 (1(2H)-Isoquinolinone,2,7-dimethyl-)
118160-07-9 structure
Product Name:1(2H)-Isoquinolinone,2,7-dimethyl-
CAS No:118160-07-9
MF:C11H11NO
MW:173.211142778397
CID:131783
PubChem ID:14092605
Update Time:2025-04-19
1(2H)-Isoquinolinone,2,7-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1(2H)-Isoquinolinone,2,7-dimethyl-
- 1(2H)-Isoquinolinone,2,7-dimethyl-(9CI)
- 2,7-DIMETHYLISOQUINOLIN-1-ONE
- 118160-07-9
- SCHEMBL349421
- 2,7-dimethylisoquinolin-1(2h)-one
-
- Inchi： 1S/C11H11NO/c1-8-3-4-9-5-6-12(2)11(13)10(9)7-8/h3-7H,1-2H3
- InChI Key： NRYHHRUVAAECLC-UHFFFAOYSA-N
- SMILES： O=C1C2C=C(C)C=CC=2C=CN1C
Computed Properties
- Exact Mass: 173.08413
- Monoisotopic Mass: 173.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 247
- 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: 20.3?2
Experimental Properties
- PSA: 20.31
1(2H)-Isoquinolinone,2,7-dimethyl- Related Literature
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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