Cas no 34463-54-2 (2H-Isoindole-1-carboxaldehyde,2-methyl-)
34463-54-2 structure
Product Name:2H-Isoindole-1-carboxaldehyde,2-methyl-
CAS No:34463-54-2
MF:C10H9NO
MW:159.184562444687
CID:294877
PubChem ID:45084005
Update Time:2025-04-19
2H-Isoindole-1-carboxaldehyde,2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Isoindole-1-carboxaldehyde,2-methyl-
- 2H-Isoindole-1-carboxaldehyde, 2-methyl- (9CI)
- 34463-54-2
- 2-Methyl-2H-isoindole-1-carbaldehyde
-
- Inchi： 1S/C10H9NO/c1-11-6-8-4-2-3-5-9(8)10(11)7-12/h2-7H,1H3
- InChI Key： QTPCSAWJJSPJLQ-UHFFFAOYSA-N
- SMILES： O=CC1=C2C=CC=CC2=CN1C
Computed Properties
- Exact Mass: 159.06847
- Monoisotopic Mass: 159.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 181
- 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: 22A^2
- XLogP3: 1.7
Experimental Properties
- PSA: 22
2H-Isoindole-1-carboxaldehyde,2-methyl- Related Literature
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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