Chemical ID: 4733692

COc1ccc(cc1C=O)C=O
Chemical ID:
4733692
Name [?]:
4-methoxybenzene-1,3-dicarbaldehyde
SMILES [?]:
COc1ccc(cc1C=O)C=O
InChi [?]:
InChI=1/C9H8O3/c1-12-9-3-2-7(5-10)4-8(9)6-11/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,7,11,9,6,8,3,12,10,2/rA:12nCOCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s6;d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8O3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:4.44624
Area:330.761
Solvation:-3.82279
Coulombic:-21.7774
Bond Count [?]
All:12
Single:7
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:164.158
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.33
LogP (Chemaxon):1.14

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Experimental Annotations

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Descriptor Annotations

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