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137205-95-9 | 4(3H)-Pyrimidinone, 2,6-bis[(2-furanylmethylene)amino]-
CAS No: 137205-95-9 Catalog No: AG0012XL MDL No:
Product Description
Catalog Number:
AG0012XL
Chemical Name:
4(3H)-Pyrimidinone, 2,6-bis[(2-furanylmethylene)amino]-
CAS Number:
137205-95-9
Molecular Formula:
C14H10N4O3
Molecular Weight:
282.2542
IUPAC Name:
2,4-bis(furan-2-ylmethylideneamino)-1H-pyrimidin-6-one
InChI:
InChI=1S/C14H10N4O3/c19-13-7-12(15-8-10-3-1-5-20-10)17-14(18-13)16-9-11-4-2-6-21-11/h1-9H,(H,17,18,19)
InChI Key:
OYIKNWRITJTXMM-UHFFFAOYSA-N
SMILES:
O=c1cc(N=Cc2ccco2)nc([nH]1)N=Cc1ccco1
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.075g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.259g/mol
Monoisotopic Mass:
282.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.3
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