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4403-43-4 | 5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide
CAS No: 4403-43-4 Catalog No: AG01BDH0 MDL No:MFCD28064258
Product Description
Catalog Number:
AG01BDH0
Chemical Name:
5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide
CAS Number:
4403-43-4
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
MDL Number:
MFCD28064258
IUPAC Name:
5-(1,3-dioxoisoindol-2-yl)pentanamide
InChI:
InChI=1S/C13H14N2O3/c14-11(16)7-3-4-8-15-12(17)9-5-1-2-6-10(9)13(15)18/h1-2,5-6H,3-4,7-8H2,(H2,14,16)
InChI Key:
UEGXDWPVTYVNGJ-UHFFFAOYSA-N
SMILES:
NC(=O)CCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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