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Molecule
ID:126342
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
B₆Ca
Molecular Mass
104.944
Exact Mass
106.01842338
Charge
0
InChI
InChI=1S/B6.Ca/c1-2-3(1)5(1)4(1,2)6(2,3)5;/q-2;+2
InChIKey
PXRBHCKHCRNGSE-UHFFFAOYSA-N
Canonic Smiles
[B]123[B]45[B-]62[B]21[B-]34[B]562.[Ca+2]
Isomeric Smiles
[B-]123[B]45[B]61[B-]14[B]25[B]361.[Ca+2]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
Molar Refractivity
0.0
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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IUPAC Traditional name
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IUPAC name
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Synonyms
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From Data Sources
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Calcium_hexaboride
Names and Identifiers
IUPAC Traditional name
calcium 1λ
4
,2λ
4
,4λ
4
,5λ
4
-heptacyclo[2.2.0.0
1
,
3
.0
2
,
5
.0
2
,
6
.0
3
,
5
.0
4
,
6
]hexaborane-3,6-diuide
IUPAC name
calcium 1λ
4
,2λ
4
,4λ
4
,5λ
4
-heptacyclo[2.2.0.0
1
,
3
.0
2
,
5
.0
2
,
6
.0
3
,
5
.0
4
,
6
]hexaborane-3,6-diuide
Synonyms
Calcium boride
Calcium hexaboride
Registration numbers
CAS Number
12007-99-7
Chemspider ID
24765176
EC Number
234-525-3
PubChem CID
16212529
Wikipedia Title
Calcium_hexaboride
Properties
Physical Property
Apperance
black powder
Source
Melting Point
2235°C /2770 K
Source
Density
2.45 g/cm
3
Source
Solubility
insoluble in water
Source
Molecule Details
Wikipedia
Calcium_hexaboride
Registration numbers
•
CAS Number
•
Chemspider ID
•
EC Number
•
PubChem CID
•
Wikipedia Title