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2742-27-0 molecular structure
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(14C2)dicarbonic acid

ChemBase ID: 131106
Molecular Formular: C2H2O5
Molecular Mass: 110.01936398
Monoisotopic Mass: 109.99670714
SMILES and InChIs

SMILES:
[14C](=O)(O)O[14C](=O)O
Canonical SMILES:
O[14C](=O)O[14C](=O)O
InChI:
InChI=1S/C2H2O5/c3-1(4)7-2(5)6/h(H,3,4)(H,5,6)/i1+2,2+2
InChIKey:
ZFTFAPZRGNKQPU-XPULMUKRSA-N

Cite this record

CBID:131106 http://www.chembase.cn/molecule-131106.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(14C2)dicarbonic acid
IUPAC Traditional name
(14C2)dicarbonic acid
Synonyms
Acetic anhydride-carbonyl-14C
CAS Number
2742-27-0
MDL Number
MFCD00069963
PubChem SID
24890782
162225384
PubChem CID
16218897

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
A3549 external link Add to cart Please log in.
Data Source Data ID
PubChem 16218897 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 5.9165487  H Acceptors
H Donor LogD (pH = 5.5) 0.48437738 
LogD (pH = 7.4) -1.6948868  Log P 0.6342747 
Molar Refractivity 15.791 cm3 Polarizability 6.693632 Å3
Polar Surface Area 83.83 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
neat expand Show data source
Flash Point
120 °F expand Show data source
49 °C expand Show data source
Mass Shift
M+4 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
R expand Show data source
UN Number
2910 expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
7 expand Show data source
Risk Statements
10-34 expand Show data source
Safety Statements
16-26-27-36/37/39-45 expand Show data source
RID/ADR
UN 2910 7 expand Show data source
Storage Temperature
2-8°C expand Show data source
Extent of Labeling
1-20 mCi per mmol expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - A3549 external link
包装
sealed ampule

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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