CE (TMHD) 4

CAT: 0926-TAA96054-02Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-TAA96054-02Size:25 g

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CAS Number

18960-54-8

MDL Number

MFCD00145378

Smiles

CC (C) (C) C (=CC (=O) C (C) (C) C) O.CC (C) (C) C (=CC (=O) C (C) (C) C) O.[Ce]

Molecular Formula

C44H76CeO8

Molecular Weight

873.19 g/mol

Controlled

Chemical Information

Nsc174882

CAS Number	18960-54-8
PubChem CID	425541
IUPAC Name	cerium;tetrakis(2,2,6,6-tetramethylheptane-3,5-dione)
Molecular Formula	C44H80CeO8
Molecular Weight	877.2
Topological Polar Surface Area	137
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	53
Formal Charge	0
Complexity	964

SMILES

CC(C)(C)C(=O)CC(=O)C(C)(C)C.CC(C)(C)C(=O)CC(=O)C(C)(C)C.CC(C)(C)C(=O)CC(=O)C(C)(C)C.CC(C)(C)C(=O)CC(=O)C(C)(C)C.[Ce]

InChI

InChI=1S/4C11H20O2.Ce/c4*1-10(2,3)8(12)7-9(13)11(4,5)6;/h4*7H2,1-6H3;

InChIKey

JPCVCRISNDSDBB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18960-54-8

CID: 425541

Formula: C44H80CeO8

MW: 877.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	877.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	876.49077
Monoisotopic Mass	876.49077
Topological Polar Surface Area	137 Å²
Heavy Atom Count	53
Formal Charge	0
Complexity	964
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	5
Compound Is Canonicalized	Yes

Catalog	Name
SDB89997-01	CE-245677
CRB1001693-01	CE dipeptide
FC158497	CE 224535
TFA70325-01	CE 3F4
SLA05043-01	2'-Deoxyxanthosine ce-phosphoramidite (dx ce-phosphoramidite)
PD09186	5'-O-DMT-4-methoxythymidine 3'-CE phosphoramidite
VIA38227	2-Fluoro-I ce-phosphoramidite (convertible G ce-phosphoramidite)
FU184475	UNA-U-CE Phosphoramidite
SFA23418-01	6-Azathymidine ce-phosphoramidite
PZ09994-01	Zebularine 3'-CE phosphoramidite

Catalog	Name
IN3905-01	Zirconium (IV) bis-isopropoxy bis-TMHD
JH919766	2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO CESIUM [CS (TMHD) ]