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68093-84-5 | Butanamide, N-(2,3-dihydro-1,3-dioxo-1H-isoindol-5-yl)-3-oxo-
CAS No: 68093-84-5 Catalog No: AG006066 MDL No:
Product Description
Catalog Number:
AG006066
Chemical Name:
Butanamide, N-(2,3-dihydro-1,3-dioxo-1H-isoindol-5-yl)-3-oxo-
CAS Number:
68093-84-5
Molecular Formula:
C12H10N2O4
Molecular Weight:
246.2188
IUPAC Name:
N-(1,3-dioxoisoindol-5-yl)-3-oxobutanamide
InChI:
InChI=1S/C12H10N2O4/c1-6(15)4-10(16)13-7-2-3-8-9(5-7)12(18)14-11(8)17/h2-3,5H,4H2,1H3,(H,13,16)(H,14,17,18)
InChI Key:
AWSYWWAUFFJNQT-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc2c(c1)C(=O)NC2=O)CC(=O)C
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.222g/mol
Monoisotopic Mass:
246.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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