HAFNIUM ETHOXIDE

CAS Number: 13428-80-3
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CC[O-].CC[O-].CC[O-].CC[O-].[Hf+4]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
Hf.C2H5O.C2H5O.C2H5O.C2H5O
Molecular Weight
45.0607
Drug-likeness
-2.3298
CAS
13428-80-3
InChI key
BFIMXCBKRLYJQO-UHFFFAOYSA-N
SMILES
CC[O-].CC[O-].CC[O-].CC[O-].[Hf+4]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 13428-80-3
Molecule Name HAFNIUM ETHOXIDE
Molecular Formula Hf.C2H5O.C2H5O.C2H5O.C2H5O
SMILES CC[O-].CC[O-].CC[O-].CC[O-].[Hf+4]
InChI InChI=1S/4C2H5O.Hf/c4*1-2-3;/h4*2H2,1H3;/q4*-1;+4
InChI Key BFIMXCBKRLYJQO-UHFFFAOYSA-N
CanonicalSyTyLFy c54a6f86a6274d5d
TotalMolweight 358.733
Molecular Weight 45.0607
MonoisotopicMass 45.03404
CLogP -2.0255
CLogS -0.477
H Acceptors 1
TotalSurfaceArea 47.05
Relative PSA 0.30351
PolarSurfaceArea 23.06
Drug-likeness -2.3298
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 1
Fragments 5
Non HAtoms 3
NonCHAtoms 1
Electronegative Atoms 1
Sp3Atoms 3

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