Ferrocenecarboxylic acid

CAT: 0024-sc-239995Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-239995Size:1 g

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CAS Number

1271-42-7

Chemical Information

Ferrocenemonocarboxylic acid

CAS Number	1271-42-7
PubChem CID	15764230
IUPAC Name	cyclopenta-1,3-diene;cyclopenta-2,4-diene-1-carboxylic acid;iron(2+)
Molecular Formula	C11H10FeO2
Molecular Weight	230.04
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	149

SMILES

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

InChI

InChI=1S/C6H5O2.C5H5.Fe/c7-6(8)5-3-1-2-4-5;1-2-4-5-3-1;/h1-4H,(H,7,8);1-5H;/q2*-1;+2

InChIKey

BAJHDUZEIKRKAS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1271-42-7

CID: 15764230

Formula: C11H10FeO2

MW: 230.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	230.04
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	230.003015
Monoisotopic Mass	230.003015
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	149
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
sc-222777	1,1'-Ferrocenedicarboxylic acid
sc-222777A	1,1'-Ferrocenedicarboxylic acid
sc-207666	Ethylenediaminediacetic Acid Dipropionic Acid
sc-278835	Chenodeoxycholic acid, free acid
sc-278835A	Chenodeoxycholic acid, free acid
sc-489909	Fluvoxamine Acid Trifluoroacetic Acid Salt
sc-258296	Trifluoroacetic acid, anhydride with trifluoromethanesulfonic acid
sc-202686	L-Ascorbic acid, free acid
sc-208143	P-Aminobenzoic acid, Free Acid
sc-208143B	P-Aminobenzoic acid, Free Acid

Catalog	Name
FF57253-01	Ferrocenecarboxylic acid
F01025	Ferrocenecarboxylic Acid 95%
237756-01	Ferrocenecarboxylic acid 99+%
OR1071368-01	Acid-apeg6-acid
MBS6083807-01	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005	Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
MBS641082-01	Lipoic Acid (Thioctic Acid, Alpha Lipoic Acid)
275335-01	Ethylenediaminediacetic acid dipropionic acid
O8099-01	Oxalacetic Acid (Oxaloacetic acid)