Chemical ID: 3993388

COc1cc(ccc1OCC=C)C=O
Chemical ID:
3993388
Name [?]:
4-allyloxy-3-methoxy-benzaldehyde
SMILES [?]:
COc1cc(ccc1OCC=C)C=O
InChi [?]:
InChI=1/C11H12O3/c1-3-6-14-10-5-4-9(8-12)7-11(10)13-2/h3-5,7-8H,1,6H2,2H3
InChi Info:
AuxInfo=1/0/N:12,1,11,6,7,10,4,13,5,8,3,14,2,9/rA:14nCOCCCCCCOCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s5;d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:4.05383
Area:382.479
Solvation:-5.50814
Coulombic:-22.4075
Bond Count [?]
All:14
Single:9
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:192.211
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.9
LogP (Chemaxon):1.96

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Descriptor Annotations

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