Cas no 22919-28-4 (3,5-Cyclohexadiene-1,2-dicarboxylicacid)
22919-28-4 structure
Product Name:3,5-Cyclohexadiene-1,2-dicarboxylicacid
3,5-Cyclohexadiene-1,2-dicarboxylicacid Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Cyclohexadiene-1,2-dicarboxylicacid
- cyclohexa-3,5-diene-1,2-dicarboxylic acid
- (+-)-trans-Cyclohexa-3,5-dien-1,2-dicarbonsaeure
- (+-)-trans-cyclohexa-3,5-diene-1,2-dicarboxylic acid
- 1,2-Dihydrophthalic acid
- 1,3-Cyclohexadien-r-5,t-6-dicarbonsaeure
- AC1L3IUL
- AC1Q5TC6
- Cyclohexa-3,5-diene-1,2-dicarboxylate
- SureCN156544
- trans-1,2-dihydrophthalic acid
- trans-1,2-Dihydrophthalsaeure
- trans-cyclohexa-3,5-diene-1,2-dicarboxylic acid
- 3,5-cyclohexadiene-1,2-dicarboxylic acid
- dihydrophthalic acid
- DTXSID80945602
- AKOS003617943
- CHEBI:80385
- NSC 131336
- NSC-131336
- Q27149409
- SCHEMBL156544
- NS00048817
- NSC131336
- OYUWHGGWLCJJNP-UHFFFAOYSA-N
- EINECS 245-326-6
- cyclohexa-3, 5-diene-1, 2-dicarboxylic acid
- 22919-28-4
-
- Inchi： 1S/C8H8O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-6H,(H,9,10)(H,11,12)
- InChI Key： OYUWHGGWLCJJNP-UHFFFAOYSA-N
- SMILES： OC(C1C=CC=CC1C(=O)O)=O
Computed Properties
- Exact Mass: 168.04224
- Monoisotopic Mass: 168.04225873g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 236
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
3,5-Cyclohexadiene-1,2-dicarboxylicacid Related Literature
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1. Demonstration of the degeneracy of the singlet and triplet states in 2,3-dimethylenecyclohexane-1,4-diyl by measurement of its magnetic properties??Kenji Matsuda,Hiizu Iwamura J. Chem. Soc. Perkin Trans. 2 1998 1023
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2. Anodic decarboxylation of dihydroaromatic acidsJacob Slobbe J. Chem. Soc. Chem. Commun. 1977 82
-
Valerii G. Dryuk,Viktor G. Kartsev Russ. Chem. Rev. 1999 68 183
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4. Chapter 6. Aromatic compounds
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5. Chapter 7. Electro-organic chemistryJ. H. P. Utley Annu. Rep. Prog. Chem. Sect. B: Org. Chem. 1968 65 231
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