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75732-01-3 molecular structure
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(2,4,6-trimethylphenyl)copper

ChemBase ID: 136681
Molecular Formular: C9H11Cu
Molecular Mass: 182.72964
Monoisotopic Mass: 182.01567285
SMILES and InChIs

SMILES:
Cc1cc(c(c(c1)C)[Cu])C
Canonical SMILES:
Cc1cc(C)c(c(c1)C)[Cu]
InChI:
InChI=1S/C9H11.Cu/c1-7-4-8(2)6-9(3)5-7;/h4-5H,1-3H3;
InChIKey:
BBUKMFLZOHNUQU-UHFFFAOYSA-N

Cite this record

CBID:136681 http://www.chembase.cn/molecule-136681.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,4,6-trimethylphenyl)copper
IUPAC Traditional name
(2,4,6-trimethylphenyl)copper
Synonyms
Mesitylcopper(I)
CAS Number
75732-01-3
MDL Number
MFCD00015622
PubChem SID
162230951
PubChem CID
12639866

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
736627 external link Add to cart Please log in.
Data Source Data ID
PubChem 12639866 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1598  LogD (pH = 7.4) 3.1598 
Log P 3.1598  Molar Refractivity 40.5979 cm3
Polarizability 18.447893 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
184-191 °C expand Show data source
MSDS Link
Download expand Show data source
Storage Temperature
2-8°C expand Show data source
Empirical Formula (Hill Notation)
C9H11Cu expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 736627 external link
包装
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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