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723744-84-1 | 2,4(3H,5H)-Furandione, 3-(2-imidazolidinylidene)-5-(2-pyridinylmethyl)-
CAS No: 723744-84-1 Catalog No: AG005TX1 MDL No:
Product Description
Catalog Number:
AG005TX1
Chemical Name:
2,4(3H,5H)-Furandione, 3-(2-imidazolidinylidene)-5-(2-pyridinylmethyl)-
CAS Number:
723744-84-1
Molecular Formula:
C13H13N3O3
Molecular Weight:
259.2606
IUPAC Name:
4-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-2-(pyridin-2-ylmethyl)-2H-furan-5-one
InChI:
InChI=1S/C13H13N3O3/c17-11-9(7-8-3-1-2-4-14-8)19-13(18)10(11)12-15-5-6-16-12/h1-4,9,17H,5-7H2,(H,15,16)
InChI Key:
JDLSSHKYUXEYAM-UHFFFAOYSA-N
SMILES:
O=C1OC(C(=O)C1=C1NCCN1)Cc1ccccn1
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.265g/mol
Monoisotopic Mass:
259.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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