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64438-52-4 molecular structure
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4-({bis[(4-oxopent-2-en-2-yl)oxy]neodymio}oxy)pent-3-en-2-one hydrate

ChemBase ID: 150090
Molecular Formular: C15H23NdO7
Molecular Mass: 459.57892
Monoisotopic Mass: 457.05210108
SMILES and InChIs

SMILES:
C/C(=C/C(=O)C)/O[Nd](O/C(=C\C(=O)C)/C)O/C(=C/C(=O)C)/C.O
Canonical SMILES:
C/C(=C/C(=O)C)/O[Nd](O/C(=C/C(=O)C)/C)O/C(=C\C(=O)C)/C.O
InChI:
InChI=1S/3C5H8O2.Nd.H2O/c3*1-4(6)3-5(2)7;;/h3*3,6H,1-2H3;;1H2/q;;;+3;/p-3
InChIKey:
ZOWCSWGOVNMTLL-UHFFFAOYSA-K

Cite this record

CBID:150090 http://www.chembase.cn/molecule-150090.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-({bis[(4-oxopent-2-en-2-yl)oxy]neodymio}oxy)pent-3-en-2-one hydrate
IUPAC Traditional name
4-({bis[(4-oxopent-2-en-2-yl)oxy]neodymio}oxy)pent-3-en-2-one hydrate
Synonyms
Nd(acac)3
Neodymium(III) 2,4-pentanedionate
2,4-Pentanedione neodymium(III) derivative
Neodymium(III) acetylacetonate hydrate
2,4-戊二酮 钕(III) 衍生物
乙酰丙酮钕(III) 水合物
CAS Number
64438-52-4
MDL Number
MFCD00674047
PubChem SID
24869694
162244252
PubChem CID
71311441

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
460427 external link Add to cart Please log in.
Data Source Data ID
PubChem 71311441 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.943684  H Acceptors
H Donor LogD (pH = 5.5) 1.0569 
LogD (pH = 7.4) 1.0569  Log P 1.0569 
Molar Refractivity 82.2747 cm3 Polarizability 36.004955 Å3
Polar Surface Area 78.9 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
solid expand Show data source
Melting Point
143 °C (dec.)(lit.) expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22-36/37/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H315-H319-H332 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338 expand Show data source
Linear Formula
Nd(C5H7O2)3 · xH2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 460427 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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