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3385-78-2 molecular structure
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trimethylindigane

ChemBase ID: 130009
Molecular Formular: C3H9In
Molecular Mass: 159.92156
Monoisotopic Mass: 159.97430329
SMILES and InChIs

SMILES:
C[In](C)C
Canonical SMILES:
C[In](C)C
InChI:
InChI=1S/3CH3.In/h3*1H3;
InChIKey:
IBEFSUTVZWZJEL-UHFFFAOYSA-N

Cite this record

CBID:130009 http://www.chembase.cn/molecule-130009.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trimethylindigane
IUPAC Systematic name
Trimethylindigane
IUPAC Traditional name
trimethylindium
Synonyms
Trimethylindane
indium trimethyl
Trimethylindium
CAS Number
3385-78-2
EC Number
222-200-9
PubChem SID
162224295
PubChem CID
76919
Chemspider ID
69370
Wikipedia Title
Trimethylindium

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.729  LogD (pH = 7.4) 0.729 
Log P 0.729  Molar Refractivity 16.6473 cm3
Polarizability 11.430017 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Solubility
Reacts in water expand Show data source
Apperance
White, opaque crystals expand Show data source
Melting Point
88°C expand Show data source
Boiling Point
134°C (decomposes above 101 °C) expand Show data source
Density
1.568 g cm-3 (at 20 °C) expand Show data source
Std enthalpy of formation
150.5-169.7 kJ mol-1 expand Show data source
Main Hazard
Pyrophoric expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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