Chemical ID: 5574885

c1cc(ccc1C=O)C=O
Chemical ID:
5574885
Name [?]:
benzene-1,4-dicarbaldehyde
SMILES [?]:
c1cc(ccc1C=O)C=O
InChi [?]:
InChI=1/C8H6O2/c9-5-7-1-2-8(6-10)4-3-7/h1-6H
InChi Info:
AuxInfo=1/0/N:1,2,5,4,7,9,6,3,8,10/E:(1,2,3,4)(5,6)(7,8)(9,10)/rA:10nCCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s3;d9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6O2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:4.09296
Area:296.415
Solvation:-3.31742
Coulombic:-14.5813
Bond Count [?]
All:10
Single:5
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:134.132
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.41
LogP (Chemaxon):1.4

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Experimental Annotations

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Descriptor Annotations

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