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Home > Imidazoles > 87980-02-7
87980-02-7 | Urea,N-(2,5-dioxo-4-imidazolidinyl)-N'-9H-xanthen-9-yl-
CAS No: 87980-02-7 Catalog No: AG004LMD MDL No:
Product Description
Catalog Number:
AG004LMD
Chemical Name:
Urea,N-(2,5-dioxo-4-imidazolidinyl)-N'-9H-xanthen-9-yl-
CAS Number:
87980-02-7
Molecular Formula:
C17H16N4O4
Molecular Weight:
340.3333
IUPAC Name:
1-(9,9a-dihydro-4aH-xanthen-9-yl)-3-(2,5-dioxoimidazolidin-4-yl)urea
InChI:
InChI=1S/C17H16N4O4/c22-15-14(20-17(24)21-15)19-16(23)18-13-9-5-1-3-7-11(9)25-12-8-4-2-6-10(12)13/h1-9,11,13-14H,(H2,18,19,23)(H2,20,21,22,24)
InChI Key:
WWCXJYSMNJGUKV-UHFFFAOYSA-N
SMILES:
O=C(NC1C2C=CC=CC2Oc2c1cccc2)NC1NC(=O)NC1=O
Properties
Complexity:
647
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.117g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
340.339g/mol
Monoisotopic Mass:
340.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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