1,10-Phenanthroline hydrate

Catalog Number	ACM5144898-1
CAS	5144-89-8
Structure
Synonyms	o-Phenanthroline monohydrate
IUPAC Name	1,10-phenanthroline;hydrate
Molecular Weight	198.22
Molecular Formula	C12H10N2O
Canonical SMILES	C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.O
InChI	PPQJCISYYXZCAE-UHFFFAOYSA-N
InChI Key	InChI=1S/C12H8N2.H2O/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8H;1H2
Boiling Point	365.1 °C at 760 mmHg
Melting Point	100-104 °C-lit.
Purity	98%
Appearance	White crystals or powder
Exact Mass	198.079312947
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Monoisotopic Mass	198.079312947
Rotatable Bond Count	0
Topological Polar Surface Area	26.8 Ų