Ferrocenecarboxaldehyde

CAT: 0926-FF32241-02Size: 50 gDry Ice: NoHazardous: No

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CAT#:0926-FF32241-02Size:50 g

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CAS Number

12093-10-6

MDL Number

MFCD00001429

Smiles

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

Molecular Formula

C11H10FeO

Molecular Weight

214.04 g/mol

Controlled

Chemical Information

Ferrocenecarboxaldehyde

structure in first source

CAS Number	12093-10-6
PubChem CID	15205657
IUPAC Name	cyclopenta-1,3-diene;cyclopenta-1,3-diene-1-carbaldehyde;iron(2+)
Molecular Formula	C11H10FeO
Molecular Weight	214.04
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	121

SMILES

[CH-]1C=CC=C1.[CH-]1C=CC=C1C=O.[Fe+2]

InChI

InChI=1S/C6H5O.C5H5.Fe/c7-5-6-3-1-2-4-6;1-2-4-5-3-1;/h1-5H;1-5H;/q2*-1;+2

InChIKey

MQHZGUNMWQBVDK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 12093-10-6

CID: 15205657

Formula: C11H10FeO

MW: 214.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.04
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	214.008100
Monoisotopic Mass	214.008100
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	121
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
OR315056-01	Ferrocenecarboxaldehyde
F01020-01	Ferrocenecarboxaldehyde 98%