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15548-56-8 | 4-Cyclopentene-1,2,3-trione
CAS No: 15548-56-8 Catalog No: AG001NYK MDL No:
Product Description
Catalog Number:
AG001NYK
Chemical Name:
4-Cyclopentene-1,2,3-trione
CAS Number:
15548-56-8
Molecular Formula:
C5H2O3
Molecular Weight:
110.0676
IUPAC Name:
cyclopent-4-ene-1,2,3-trione
InChI:
InChI=1S/C5H2O3/c6-3-1-2-4(7)5(3)8/h1-2H
InChI Key:
GSGMKOPCDJFHEF-UHFFFAOYSA-N
SMILES:
O=C1C(=O)C=CC1=O
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.068g/mol
Monoisotopic Mass:
110g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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