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15849-14-6 | 1,2,4-Cyclopentanetrione
CAS No: 15849-14-6 Catalog No: AG001Q8A MDL No:MFCD24688301
Product Description
Catalog Number:
AG001Q8A
Chemical Name:
1,2,4-Cyclopentanetrione
CAS Number:
15849-14-6
Molecular Formula:
C5H4O3
Molecular Weight:
112.0835
MDL Number:
MFCD24688301
IUPAC Name:
cyclopentane-1,2,4-trione
InChI:
InChI=1S/C5H4O3/c6-3-1-4(7)5(8)2-3/h1-2H2
InChI Key:
PLIKDTHMOISVIW-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)C(=O)C1
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.016g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.084g/mol
Monoisotopic Mass:
112.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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