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Home > Indoles and Oxindole > 86770-02-7
86770-02-7 | 1H-Isoindol-1-one, 2,3-dihydro-2-methyl-3-phenylmethyl-
CAS No: 86770-02-7 Catalog No: AG004SB7 MDL No:
Product Description
Catalog Number:
AG004SB7
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-2-methyl-3-phenylmethyl-
CAS Number:
86770-02-7
Molecular Formula:
C16H15NO
Molecular Weight:
237.2964
IUPAC Name:
3-benzyl-2-methyl-3H-isoindol-1-one
InChI:
InChI=1S/C16H15NO/c1-17-15(11-12-7-3-2-4-8-12)13-9-5-6-10-14(13)16(17)18/h2-10,15H,11H2,1H3
InChI Key:
HBMZQJIYLKMBHQ-UHFFFAOYSA-N
SMILES:
CN1C(=O)c2c(C1Cc1ccccc1)cccc2
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.302g/mol
Monoisotopic Mass:
237.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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