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13007-92-6 molecular structure
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{[pentakis(hydroxymethyl)chromio]methylidyne}-$l^{3}-oxidane

ChemBase ID: 108816
Molecular Formular: C6H6CrO6
Molecular Mass: 226.10434
Monoisotopic Mass: 225.95694541
SMILES and InChIs

SMILES:
[OH]#C[Cr](C#[OH])(C#[OH])(C#[OH])(C#[OH])C#[OH]
Canonical SMILES:
[OH]#C[Cr](C#[OH])(C#[OH])(C#[OH])(C#[OH])C#[OH]
InChI:
InChI=1S/6CO.Cr/c6*1-2;
InChIKey:
KOTQLLUQLXWWDK-UHFFFAOYSA-N

Cite this record

CBID:108816 http://www.chembase.cn/molecule-108816.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{[pentakis(hydroxymethyl)chromio]methylidyne}-$l^{3}-oxidane
IUPAC Traditional name
{[pentakis(hydroxymethyl)chromio]methylidyne}-$l^{3}-oxidane
Synonyms
CHROMIUM CARBONYL
CAS Number
13007-92-6
EC Number
235-852-4
PubChem SID
162090466
PubChem CID
518677

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05208841 external link Add to cart Please log in.
Data Source Data ID
PubChem 518677 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
Molar Refractivity 102.423 cm3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
RTECS
GB5075000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
R:40/22 expand Show data source
Safety Statements
S:28-36/37/39-45-53 expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05208841 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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