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113613-80-2 | 4-Cyclopentene-1,3-dione, 2-(2,5-dioxo-3-cyclopenten-1-ylidene)- (9CI)
CAS No: 113613-80-2 Catalog No: AG00095J MDL No:
Product Description
Catalog Number:
AG00095J
Chemical Name:
4-Cyclopentene-1,3-dione, 2-(2,5-dioxo-3-cyclopenten-1-ylidene)- (9CI)
CAS Number:
113613-80-2
Molecular Formula:
C10H4O4
Molecular Weight:
188.1364
IUPAC Name:
2-(2,5-dioxocyclopent-3-en-1-ylidene)cyclopent-4-ene-1,3-dione
InChI:
InChI=1S/C10H4O4/c11-5-1-2-6(12)9(5)10-7(13)3-4-8(10)14/h1-4H
InChI Key:
MJTUIXHNFYGXHE-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)C1=C1C(=O)C=CC1=O
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.011g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.138g/mol
Monoisotopic Mass:
188.011g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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