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CIS-ACONITIC ANHYDRIDE

CAS No.:
6318-55-4
Catalog Number:
AG003OZU
Molecular Formula:
C6H4O5
Molecular Weight:
156.0930
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Product Description
Catalog Number:
AG003OZU
Chemical Name:
CIS-ACONITIC ANHYDRIDE
CAS Number:
6318-55-4
Molecular Formula:
C6H4O5
Molecular Weight:
156.0930
MDL Number:
MFCD00005524
IUPAC Name:
2-(2,5-dioxofuran-3-yl)acetic acid
InChI:
InChI=1S/C6H4O5/c7-4(8)1-3-2-5(9)11-6(3)10/h2H,1H2,(H,7,8)
InChI Key:
GVJRTUUUJYMTNQ-UHFFFAOYSA-N
SMILES:
OC(=O)CC1=CC(=O)OC1=O
NSC Number:
31662
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.006g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
156.093g/mol
Monoisotopic Mass:
156.006g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Literature
Title Journal
Cis-aconitic anhydride ethyl ester and phenolic compounds from the seeds of Alisma orientale. Natural product communications 20120601
Cerebellar Purkinje cells incorporate immunoglobulins and immunotoxins in vitro: implications for human neurological disease and immunotherapeutics. Journal of neuroinflammation 20090101
Synthesis of poly(vinyl alcohol)-doxorubicin conjugates containing cis-aconityl acid-cleavable bond and its isomer dependent doxorubicin release. Biological & pharmaceutical bulletin 20080101
Antiproliferative properties of chemically modified recombinant IFN-alpha2b. Journal of interferon & cytokine research : the official journal of the International Society for Interferon and Cytokine Research 20050701
Facile preparation of an orthogonally protected, pH-sensitive, bioconjugate linker for therapeutic applications. Organic letters 20041111
Isomer-dependent daunomycin release and in vitro antitumour effect of cis-aconityl-daunomycin. Biochemical and biophysical research communications 20030404
Properties