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61790-20-3 molecular structure
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yttrium(3+) ion tris(naphthalene-2-carboxylate)

ChemBase ID: 303419
Molecular Formular: C33H21O6Y
Molecular Mass: 602.42209
Monoisotopic Mass: 602.03966139
SMILES and InChIs

SMILES:
c1ccc2cc(ccc2c1)C(=O)[O-].c1ccc2cc(ccc2c1)C(=O)[O-].c1ccc2cc(ccc2c1)C(=O)[O-].[Y+3]
Canonical SMILES:
[O-]C(=O)c1ccc2c(c1)cccc2.[O-]C(=O)c1ccc2c(c1)cccc2.[O-]C(=O)c1ccc2c(c1)cccc2.[Y+3]
InChI:
InChI=1S/3C11H8O2.Y/c3*12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h3*1-7H,(H,12,13);/q;;;+3/p-3
InChIKey:
FWTXSDMYLVRXQU-UHFFFAOYSA-K

Cite this record

CBID:303419 http://www.chembase.cn/molecule-303419.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
yttrium(3+) ion tris(naphthalene-2-carboxylate)
IUPAC Traditional name
yttrium(3+) ion tris(2-naphthoate)
Synonyms
Yttrium naphthenate
环烷酸钇
CAS Number
61790-20-3
MDL Number
MFCD00148830

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar 39568 external link Add to cart
Data Source Data ID Price
Alfa Aesar
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.9893572  H Acceptors
H Donor LogD (pH = 5.5) 1.1006031 
LogD (pH = 7.4) -0.5448371  Log P 2.6203055 
Molar Refractivity 60.6015 cm3 Polarizability 20.10069 Å3
Polar Surface Area 40.13 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Liquid expand Show data source
European Hazard Symbols
X expand Show data source
Risk Statements
20 expand Show data source
Safety Statements
16-25-29-33 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H332 expand Show data source
GHS Precautionary statements
P261-P271-P304+P340-P312 expand Show data source
Purity
Y 7-13%, 60% w/w in toluene expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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