Chemical ID: 7150236

CCOc1cc(cc(c1OC)CC=C)C=O
Chemical ID:
7150236
Name [?]:
3-allyl-5-ethoxy-4-methoxy-benzaldehyde
SMILES [?]:
CCOc1cc(cc(c1OC)CC=C)C=O
InChi [?]:
InChI=1/C13H16O3/c1-4-6-11-7-10(9-14)8-12(16-5-2)13(11)15-3/h4,7-9H,1,5-6H2,2-3H3
InChi Info:
AuxInfo=1/0/N:14,1,11,13,2,12,7,5,15,6,8,4,9,16,10,3/rA:16nCCOCCCCCCOCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s8;s12;d13;s6;d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16O3
All Atoms:32
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.86978
Area:420.088
Solvation:-4.63243
Coulombic:-23.4785
Bond Count [?]
All:16
Single:11
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:220.264
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.78
LogP (Chemaxon):2.6

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Descriptor Annotations

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