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Chemical ID: 6047119
Chemical ID:
6047119
Name [?]:
hexa-2,4-dienedioic acid
SMILES [?]:
C(=CC(=O)O)C=CC(=O)O
InChi [?]:
InChI=1/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,6,2,7,3,8,4,5,9,10/E:(1,2)(3,4)(5,6)(7,8,9,10)/gE:(1,2)/rA:10nCCCOOCCCOO/rB:w1;s2;d3;s3;s1;w6;s7;d8;s8;/rC:;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H6O4 |
All Atoms: | 10 |
Heavy Atoms: | 10 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.28974 |
Area: | 301.357 |
Solvation: | -2.24418 |
Coulombic: | -54.6256 |
Bond Count [?]
All: | 9 |
Single: | 5 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 142.109 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | -0.14 |
LogP (Chemaxon): | 0.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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