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1214900-71-6 | 1H-Isoindol-1-one, 6-amino-2,3-dihydro-3,3-dimethyl-
CAS No: 1214900-71-6 Catalog No: AG001526 MDL No:MFCD21337850
Product Description
Catalog Number:
AG001526
Chemical Name:
1H-Isoindol-1-one, 6-amino-2,3-dihydro-3,3-dimethyl-
CAS Number:
1214900-71-6
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD21337850
IUPAC Name:
6-amino-3,3-dimethyl-2H-isoindol-1-one
InChI:
InChI=1S/C10H12N2O/c1-10(2)8-4-3-6(11)5-7(8)9(13)12-10/h3-5H,11H2,1-2H3,(H,12,13)
InChI Key:
CNEOSDMZQDEVKJ-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)C(=O)NC2(C)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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