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1,10-phenanthroline-4-carboxylic acid

1,10-phenanthroline-4-carboxylic acid

CAS: 31301-27-6

Formula: C13H8N2O2

SMILES: OC(=O)C1=CC=NC2=C1C=CC1=C2N=CC=C1

IUPAC: 1,10-phenanthroline-4-carboxylic acid

InChI: InChI=1S/C13H8N2O2/c16-13(17)10-5-7-15-12-9(10)4-3-8-2-1-6-14-11(8)12/h1-7H,(H,16,17)

Composition: C (69.64%), H (3.60%), N (12.49%), O (14.27%)

Molar Mass: 224.219

Atom Count: 25

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 224.058577506
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey VNUCJFRSRNCDFO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.16
Topological Polar Surface Area 63.08
Polarizability 25.93
Ring Count 3
Rotatable Bond Count 1

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