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3264-82-2 molecular structure
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2,4,8,10-tetramethyl-1$l^{3},5$l^{3}-dioxa-7$l^{3},11$l^{3}-dioxa-6-nickelaspiro[5.5]undeca-1,4,7,10-tetraene-6,6-bis(ylium)-3,9-diide

ChemBase ID: 110779
Molecular Formular: C10H14NiO4
Molecular Mass: 256.90916
Monoisotopic Mass: 256.02455183
SMILES and InChIs

SMILES:
CC1=[O][Ni+2]2([O]=C(C)[CH-]1)[O]=C(C)[CH-]C(=[O]2)C
Canonical SMILES:
CC1=[O][Ni+2]2([O]=C([CH-]1)C)[O]=C(C)[CH-]C(=[O]2)C
InChI:
InChI=1S/2C5H7O2.Ni/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2
InChIKey:
JBIMTYQVAYCSRC-UHFFFAOYSA-N

Cite this record

CBID:110779 http://www.chembase.cn/molecule-110779.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4,8,10-tetramethyl-1$l^{3},5$l^{3}-dioxa-7$l^{3},11$l^{3}-dioxa-6-nickelaspiro[5.5]undeca-1,4,7,10-tetraene-6,6-bis(ylium)-3,9-diide
IUPAC Traditional name
2,4,8,10-tetramethyl-1$l^{3},5$l^{3}-dioxa-7$l^{3},11$l^{3}-dioxa-6-nickelaspiro[5.5]undeca-1,4,7,10-tetraene-6,6-bis(ylium)-3,9-diide
Synonyms
NICKEL ACETYLACETONATE (OUS)
CAS Number
3264-82-2
EC Number
221-875-7
PubChem SID
162096958
PubChem CID
2723707

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05216293 external link Add to cart Please log in.
Data Source Data ID
PubChem 2723707 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
Molar Refractivity 96.4072 cm3 Polar Surface Area 136.56 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
RTECS
SA2100000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
R:40-43-58 expand Show data source
Safety Statements
S:22-36-61 expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05216293 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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