Dimethyl 1,1'-ferrocenedicarboxylate

Catalog Number	ACM1273956
CAS	1273-95-6
Synonyms	Ferrocene-1,1'-dicarboxylic acid dimethylester
Molecular Weight	302.1
Molecular Formula	C14H14FeO4
Canonical SMILES	COC(=O)[C-]1[CH-][CH-][CH-][CH-]1.COC(=O)[C-]1C=CC=C1.[Fe]
InChI	InChI=1S/2C7H7O2.Fe/c2*1-9-7(8)6-4-2-3-5-6;/h2*2-5H,1H3;/q-5;-1;
InChI Key	UZCQZDWWLBPSAF-UHFFFAOYSA-N
Melting Point	112-113 °C
Purity	98%
Complexity	300
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Exact Mass	302.024144
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	0
Monoisotopic Mass	302.024144
Rotatable Bond Count	4
Topological Polar Surface Area	52.6 Ų