1-(Ferrocenyl)ethanol

Catalog Number	ACM1277492-1
CAS	1277-49-2
Structure
Synonyms	(1-Hydroxyethyl)-ferrocen
Molecular Weight	230.08
Molecular Formula	C12H14FeO10
Canonical SMILES	CC(C1=CC=C[CH-]1)O.[CH-]1C=CC=C1.[Fe+2]
InChI	InChI=1S/C7H9O.C5H5.Fe/c1-6(8)7-4-2-3-5-7;1-2-4-5-3-1;/h2-6,8H,1H3;1-5H;/q2*-1;+2
InChI Key	YDZCBKCOBVVHFT-UHFFFAOYSA-N
Melting Point	76-79 °C
Purity	98%
Appearance	Crystal
Exact Mass	230.039401
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Monoisotopic Mass	230.039401
Rotatable Bond Count	1
Topological Polar Surface Area	50.2 Ų