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779267-79-7 | Urea,N-(2,3-dihydro-1,3-dioxo-1H-isoindol-5-yl)-N'-methyl-
CAS No: 779267-79-7 Catalog No: AG0056IP MDL No:
Product Description
Catalog Number:
AG0056IP
Chemical Name:
Urea,N-(2,3-dihydro-1,3-dioxo-1H-isoindol-5-yl)-N'-methyl-
CAS Number:
779267-79-7
Molecular Formula:
C10H9N3O3
Molecular Weight:
219.1968
IUPAC Name:
1-(1,3-dioxoisoindol-5-yl)-1-methylurea
InChI:
InChI=1S/C10H9N3O3/c1-13(10(11)16)5-2-3-6-7(4-5)9(15)12-8(6)14/h2-4H,1H3,(H2,11,16)(H,12,14,15)
InChI Key:
AUQGQDJMYOGCCA-UHFFFAOYSA-N
SMILES:
NC(=O)N(c1ccc2c(c1)C(=O)NC2=O)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.2g/mol
Monoisotopic Mass:
219.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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