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1251195-14-8 | 1H-Isoindol-1-one, 6-(aminomethyl)-2,3-dihydro-
CAS No: 1251195-14-8 Catalog No: AG000N7P MDL No:MFCD22199283
Product Description
Catalog Number:
AG000N7P
Chemical Name:
1H-Isoindol-1-one, 6-(aminomethyl)-2,3-dihydro-
CAS Number:
1251195-14-8
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
MDL Number:
MFCD22199283
IUPAC Name:
6-(aminomethyl)-2,3-dihydroisoindol-1-one
InChI:
InChI=1S/C9H10N2O/c10-4-6-1-2-7-5-11-9(12)8(7)3-6/h1-3H,4-5,10H2,(H,11,12)
InChI Key:
SWVACKJYWYOGRE-UHFFFAOYSA-N
SMILES:
NCc1ccc2c(c1)C(=O)NC2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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