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88352-10-7 | 2,4(1H,3H)-Pyrimidinedione, 6-[[(4-hydroxyphenyl)methylene]amino]-
CAS No: 88352-10-7 Catalog No: AG0045SQ MDL No:
Product Description
Catalog Number:
AG0045SQ
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-[[(4-hydroxyphenyl)methylene]amino]-
CAS Number:
88352-10-7
Molecular Formula:
C11H9N3O3
Molecular Weight:
231.2075
IUPAC Name:
6-[(4-hydroxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C11H9N3O3/c15-8-3-1-7(2-4-8)6-12-9-5-10(16)14-11(17)13-9/h1-6,15H,(H2,13,14,16,17)
InChI Key:
UTTMUHOZEOAKID-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C=Nc1cc(=O)[nH]c(=O)[nH]1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
231.211g/mol
Monoisotopic Mass:
231.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.2
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