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192524-99-5 | 1H-Imidazole, 2-[1,1'-biphenyl]-4-yl-4,5-dihydro-, ethanedioate (1:1)
CAS No: 192524-99-5 Catalog No: AG002G1W MDL No:
Product Description
Catalog Number:
AG002G1W
Chemical Name:
1H-Imidazole, 2-[1,1'-biphenyl]-4-yl-4,5-dihydro-, ethanedioate (1:1)
CAS Number:
192524-99-5
Molecular Formula:
C17H16N2O4
Molecular Weight:
312.3199
IUPAC Name:
oxalic acid;2-(4-phenylphenyl)-4,5-dihydro-1H-imidazole
InChI:
InChI=1S/C15H14N2.C2H2O4/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)15-16-10-11-17-15;3-1(4)2(5)6/h1-9H,10-11H2,(H,16,17);(H,3,4)(H,5,6)
InChI Key:
ZOQLFRBMKZHUKN-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ccc(cc1)C1=NCCN1.OC(=O)C(=O)O
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.111g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
312.325g/mol
Monoisotopic Mass:
312.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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