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222036-66-0 | 5-Aminoisoindolin-1-one
CAS No: 222036-66-0 Catalog No: AG003ME8 MDL No:MFCD10000828
Product Description
Catalog Number:
AG003ME8
Chemical Name:
5-Aminoisoindolin-1-one
CAS Number:
222036-66-0
Molecular Formula:
C8H8N2O
Molecular Weight:
148.1619
MDL Number:
MFCD10000828
IUPAC Name:
5-amino-2,3-dihydroisoindol-1-one
InChI:
InChI=1S/C8H8N2O/c9-6-1-2-7-5(3-6)4-10-8(7)11/h1-3H,4,9H2,(H,10,11)
InChI Key:
RGJCJWXNNDARPQ-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)CNC2=O
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
148.165g/mol
Monoisotopic Mass:
148.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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