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23585-90-2 | 2,4-Imidazolidinedione, 5-[(3,4,5-trimethoxyphenyl)methylene]-
CAS No: 23585-90-2 Catalog No: AG002NRI MDL No:
Product Description
Catalog Number:
AG002NRI
Chemical Name:
2,4-Imidazolidinedione, 5-[(3,4,5-trimethoxyphenyl)methylene]-
CAS Number:
23585-90-2
Molecular Formula:
C13H14N2O5
Molecular Weight:
278.2607
IUPAC Name:
5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
InChI:
InChI=1S/C13H14N2O5/c1-18-9-5-7(6-10(19-2)11(9)20-3)4-8-12(16)15-13(17)14-8/h4-6H,1-3H3,(H2,14,15,16,17)
InChI Key:
MIPHJRZSHMVBJB-UHFFFAOYSA-N
SMILES:
COc1cc(C=C2NC(=O)NC2=O)cc(c1OC)OC
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.264g/mol
Monoisotopic Mass:
278.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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