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Home > Indoles and Oxindole > 65399-03-3
65399-03-3 | 5-Methylisoindolin-1-one
CAS No: 65399-03-3 Catalog No: AG006ROS MDL No:MFCD09056875
Product Description
Catalog Number:
AG006ROS
Chemical Name:
5-Methylisoindolin-1-one
CAS Number:
65399-03-3
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD09056875
IUPAC Name:
5-methyl-2,3-dihydroisoindol-1-one
InChI:
InChI=1S/C9H9NO/c1-6-2-3-8-7(4-6)5-10-9(8)11/h2-4H,5H2,1H3,(H,10,11)
InChI Key:
AHKBMKCIJLCNIH-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)CNC2=O
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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