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76719-55-6 | Cyclopropanetrione
CAS No: 76719-55-6 Catalog No: AG005IJ1 MDL No:
Product Description
Catalog Number:
AG005IJ1
Chemical Name:
Cyclopropanetrione
CAS Number:
76719-55-6
Molecular Formula:
C3O3
Molecular Weight:
84.0303
IUPAC Name:
cyclopropane-1,2,3-trione
InChI:
InChI=1S/C3O3/c4-1-2(5)3(1)6
InChI Key:
RONYDRNIQQTADL-UHFFFAOYSA-N
SMILES:
O=C1C(=O)C1=O
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
83.985g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
84.03g/mol
Monoisotopic Mass:
83.985g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Reactive carbonyls from tobacco smoke increase arterial endothelial layer injury. | American journal of physiology. Heart and circulatory physiology 20020801 |
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