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137453-25-9 | 1H-Isoindole-5-carboxamide, 2,3-dihydro-
CAS No: 137453-25-9 Catalog No: AG0013AV MDL No:
Product Description
Catalog Number:
AG0013AV
Chemical Name:
1H-Isoindole-5-carboxamide, 2,3-dihydro-
CAS Number:
137453-25-9
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
IUPAC Name:
2,3-dihydro-1H-isoindole-5-carboxamide
InChI:
InChI=1S/C9H10N2O/c10-9(12)6-1-2-7-4-11-5-8(7)3-6/h1-3,11H,4-5H2,(H2,10,12)
InChI Key:
DZACPFIVEGYGNL-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc2c(c1)CNC2
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:
-0.3
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