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10040-87-6 | 2,4-Imidazolidinedione, 5-[[4-(dimethylamino)phenyl]methylene]-
CAS No: 10040-87-6 Catalog No: AG0001XQ MDL No:
Product Description
Catalog Number:
AG0001XQ
Chemical Name:
2,4-Imidazolidinedione, 5-[[4-(dimethylamino)phenyl]methylene]-
CAS Number:
10040-87-6
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
IUPAC Name:
5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
InChI:
InChI=1S/C12H13N3O2/c1-15(2)9-5-3-8(4-6-9)7-10-11(16)14-12(17)13-10/h3-7H,1-2H3,(H2,13,14,16,17)
InChI Key:
KLVRHZIOWMWJOC-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)C=C1NC(=O)NC1=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:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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