Cas no 499242-13-6 (1,4-Benzenedicarboxylic acid, compd. with 4,7-phenanthroline (1:1))

1,4-Benzenedicarboxylic acid, compd. with 4,7-phenanthroline (1:1) structure
499242-13-6 structure
Product Name:1,4-Benzenedicarboxylic acid, compd. with 4,7-phenanthroline (1:1)
CAS No:499242-13-6
MF:C20H14N2O4
MW:346.336164951324
CID:1541873
Update Time:2024-08-23

1,4-Benzenedicarboxylic acid, compd. with 4,7-phenanthroline (1:1) Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzenedicarboxylic acid, compd. with 4,7-phenanthroline (1:1)
    • Inchi： 1S/C12H8N2.C8H6O4/c1-3-9-10-4-2-8-14-12(10)6-5-11(9)13-7-1;9-7(10)5-1-2-6(4-3-5)8(11)12/h1-8H;1-4H,(H,9,10)(H,11,12)
    • InChI Key： QOHYTZWBOVSMMP-UHFFFAOYSA-N
    • SMILES： C(C1C=CC(C(=O)O)=CC=1)(=O)O.C12C=CC=NC1=CC=C1N=CC=CC=21

Computed Properties

  • Exact Mass: 346.09542

Experimental Properties

  • PSA: 100.38

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