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1,5-Cyclohexadiene-1-carboxylic acid, 3,4-dioxo-,75435-17-5, 3,4-dioxo

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摘 要:1,5-Cyclohexadiene-1-carboxylic acid, 3,4-dioxo-,75435-17-5, 3,4-dioxocyclohexa-1,5-diene-1-carboxylic acid,Canonical SMILES: C1=CC(=O)C(=O)C=C1C(=O)O,InChI: InChI=1/C7H4O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)/f/h10H,Molecular Weight152.10426 [
[Synonyms]
1,5-Cyclohexadiene-1-carboxylic acid, 3,4-dioxo-
75435-17-5

[Structure]
1,5-Cyclohexadiene-1-carboxylic acid, 3,4-dioxo-,75435-17-5, 3,4-dioxo

[ Properties Computed from Structure]
Molecular Weight152.10426 [g/mol]
Molecular FormulaC7H4O4
XLogP-0.7
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count1
Exact Mass152.010959
MonoIsotopic Mass152.010959
Topological Polar Surface Area71.4
Heavy Atom Count11
Formal Charge0
Complexity296
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3,4-dioxocyclohexa-1,5-diene-1-carboxylic acid
Canonical SMILES: C1=CC(=O)C(=O)C=C1C(=O)O
InChI: InChI=1/C7H4O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)/f/h10H

 
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