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10150-19-3 | Urea, N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)-N'-phenyl-
CAS No: 10150-19-3 Catalog No: AG0004NY MDL No:
Product Description
Catalog Number:
AG0004NY
Chemical Name:
Urea, N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)-N'-phenyl-
CAS Number:
10150-19-3
Molecular Formula:
C21H14N2O4
Molecular Weight:
358.3469
IUPAC Name:
1-(4-hydroxy-9,10-dioxoanthracen-1-yl)-3-phenylurea
InChI:
InChI=1S/C21H14N2O4/c24-16-11-10-15(23-21(27)22-12-6-2-1-3-7-12)17-18(16)20(26)14-9-5-4-8-13(14)19(17)25/h1-11,24H,(H2,22,23,27)
InChI Key:
PYMDZKTYJUJDKY-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O)Nc1ccccc1
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.095g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
358.353g/mol
Monoisotopic Mass:
358.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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