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Home > Indoles and Oxindole > 19194-52-6
19194-52-6 | 1H-Isoindol-1-one, 2,3-dihydro-3,3-dimethyl-
CAS No: 19194-52-6 Catalog No: AG002FKR MDL No:MFCD18449586
Product Description
Catalog Number:
AG002FKR
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-3,3-dimethyl-
CAS Number:
19194-52-6
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD18449586
IUPAC Name:
3,3-dimethyl-2H-isoindol-1-one
InChI:
InChI=1S/C10H11NO/c1-10(2)8-6-4-3-5-7(8)9(12)11-10/h3-6H,1-2H3,(H,11,12)
InChI Key:
FPFPRYFTNAYPPR-UHFFFAOYSA-N
SMILES:
O=C1NC(c2c1cccc2)(C)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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