1,1'-Diacetylferrocene

CAT: 0926-FD35258-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-FD35258-01Size:5 g

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CAS Number

1273-94-5

MDL Number

MFCD00001424

Smiles

[Fe].CC (=O) [C]1[CH][CH][CH][CH]1.CC (=O) [C]2[CH][CH][CH][CH]2

Molecular Formula

C14H14FeO2

Molecular Weight

270.1 g/mol

Controlled

Yes

Chemical Information

1,1'-Diacetylferrocene

CAS Number	1273-94-5
PubChem CID	11984612
IUPAC Name	1-cyclopenta-2,4-dien-1-ylethanone;1-cyclopentylethanone;iron
Molecular Formula	C14H14FeO2-6
Molecular Weight	270.10
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	-6
Complexity	271

SMILES

CC(=O)[C-]1[CH-][CH-][CH-][CH-]1.CC(=O)[C-]1C=CC=C1.[Fe]

InChI

InChI=1S/2C7H7O.Fe/c2*1-6(8)7-4-2-3-5-7;/h2*2-5H,1H3;/q-5;-1;

InChIKey

DAVCBKPWWUUYNL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1273-94-5

CID: 11984612

Formula: C14H14FeO2-6

MW: 270.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	270.10
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	270.034315
Monoisotopic Mass	270.034315
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	17
Formal Charge	-6
Complexity	271
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

Catalog	Name
OF59775-01	1,1,1,1,1-Kestoheptaose
OK59466-01	1,1,1,1-Kestohexose
DFA88480-01	1-Bromobicyclo[1.1.1]pentane
FT77421-01	1,1,1-Trifluorobutane
OK32473-01	1,1,1-Kestopentaose
FT78177-01	1,1,1-Trifluoronitroethane
IFA69273-01	1-Iodobicyclo[1.1.1]pentane
AAA91800	1,1,1-Trichloroacetone
QEA91330-01	1,1'- (Bicyclo[1.1.1]pentane-1,3-diyl) diethanone
FB33678-01	1,1'-Bicyclo[1,1,1]pentane-1,3-dicarboxylic acid

Catalog	Name
sc-222773B	1,1'-Diacetylferrocene
228996-01	1,1'-Diacetylferrocene 98+% (HPLC)
297272-01	1,1,1,1,1-Kestoheptaose
112040	1,1,1,1-Kestohexose
HY-N6838-01	1,1,1,1-Kestohexaose
410417-01	1,1,1-Trichloromethanesulfonic Acid 1,1'-Anhydride
OR312388	1-Phenylbicyclo[1.1.1]pentane
GTR19217879-01	AMPK-α1β1γ1 activator 1
OR300179	1-Isothiocyanatobicyclo[1.1.1]pentane
OR300174	1-Isocyanatobicyclo[1.1.1]pentane