Chemical ID: 7093298

CCOc1cc(cc(c1OCC)CC=C)C=O
Chemical ID:
7093298
Name [?]:
3-allyl-4,5-diethoxy-benzaldehyde
SMILES [?]:
CCOc1cc(cc(c1OCC)CC=C)C=O
InChi [?]:
InChI=1/C14H18O3/c1-4-7-12-8-11(10-15)9-13(16-5-2)14(12)17-6-3/h4,8-10H,1,5-7H2,2-3H3
InChi Info:
AuxInfo=1/0/N:15,1,12,14,2,11,13,7,5,16,6,8,4,9,17,3,10/rA:17nCCOCCCCCCOCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s8;s13;d14;s6;d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18O3
All Atoms:35
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.65784
Area:448.243
Solvation:-4.54823
Coulombic:-23.7305
Bond Count [?]
All:17
Single:12
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:234.291
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.21
LogP (Chemaxon):2.95

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Descriptor Annotations

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