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Home > Indoles and Oxindole > 65038-93-9
65038-93-9 | 3-methyl-4,5,6,7-tetrahydro-2H-isoindol-4-one
CAS No: 65038-93-9 Catalog No: AG01DWKO MDL No:MFCD12924223
Product Description
Catalog Number:
AG01DWKO
Chemical Name:
3-methyl-4,5,6,7-tetrahydro-2H-isoindol-4-one
CAS Number:
65038-93-9
Molecular Formula:
C9H11NO
Molecular Weight:
149.1897
MDL Number:
MFCD12924223
IUPAC Name:
3-methyl-2,5,6,7-tetrahydroisoindol-4-one
InChI:
InChI=1S/C9H11NO/c1-6-9-7(5-10-6)3-2-4-8(9)11/h5,10H,2-4H2,1H3
InChI Key:
HOJHBXQJPYLKCU-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1c(C)[nH]c2
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.193g/mol
Monoisotopic Mass:
149.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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