Chemical ID: 6047119

C(=CC(=O)O)C=CC(=O)O
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

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Descriptor Annotations

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