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30787-15-6 | 2H-Isoindole-2-acetamide, α-ethyl-1,3-dihydro-1-oxo-
CAS No: 30787-15-6 Catalog No: AG00319R MDL No:
Product Description
Catalog Number:
AG00319R
Chemical Name:
2H-Isoindole-2-acetamide, α-ethyl-1,3-dihydro-1-oxo-
CAS Number:
30787-15-6
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
IUPAC Name:
2-(3-oxo-1H-isoindol-2-yl)butanamide
InChI:
InChI=1S/C12H14N2O2/c1-2-10(11(13)15)14-7-8-5-3-4-6-9(8)12(14)16/h3-6,10H,2,7H2,1H3,(H2,13,15)
InChI Key:
NADNLPGWTSAQJI-UHFFFAOYSA-N
SMILES:
CCC(N1Cc2c(C1=O)cccc2)C(=O)N
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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