Chemical ID: 7093299

CCOc1c(cc(cc1OC)C=O)CC=C
Chemical ID:
7093299
Name [?]:
3-allyl-4-ethoxy-5-methoxy-benzaldehyde
SMILES [?]:
CCOc1c(cc(cc1OC)C=O)CC=C
InChi [?]:
InChI=1/C13H16O3/c1-4-6-11-7-10(9-14)8-12(15-3)13(11)16-5-2/h4,7-9H,1,5-6H2,2-3H3
InChi Info:
AuxInfo=1/0/N:16,1,11,15,2,14,6,8,12,7,5,9,4,13,10,3/rA:16nCCOCCCCCCOCCOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;d12;s5;s14;d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16O3
All Atoms:32
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.92428
Area:417.759
Solvation:-4.51969
Coulombic:-23.5477
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

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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