1,10-Phenanthroline-2,9-dicarboxylic acid

Catalog Number	ACM57709612-2
CAS	57709-61-2
Structure
Synonyms	2,9-Dicarboxy-1,10-Phenanthroline; H2phenda; H2PDA
IUPAC Name	1,10-phenanthroline-2,9-dicarboxylic acid
Molecular Weight	268.22
Molecular Formula	C14H8N2O4
InChI	FXSVCROWUPWXBP-UHFFFAOYSA-N
InChI Key	InChI=1S/C14H8N2O4/c17-13(18)9-5-3-7-1-2-8-4-6-10(14(19)20)16-12(8)11(7)15-9/h1-6H,(H,17,18)(H,19,20)
Boiling Point	563.1±45.0 °C(Predicted)
Melting Point	239 °C
Purity	97%
Appearance	Light yellow powder
Complexity	376
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	268.04840674g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isomeric SMILES	C1=CC2=C(C3=C1C=CC(=N3)C(=O)O)N=C(C=C2)C(=O)O
Monoisotopic Mass	268.04840674g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	100Ų