Chemical ID: 3993386

CCCCOc1ccc(cc1OC)C=O
Chemical ID:
3993386
Name [?]:
4-butoxy-3-methoxy-benzaldehyde
SMILES [?]:
CCCCOc1ccc(cc1OC)C=O
InChi [?]:
InChI=1/C12H16O3/c1-3-4-7-15-11-6-5-10(9-13)8-12(11)14-2/h5-6,8-9H,3-4,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,3,8,7,4,10,14,9,6,11,15,12,5/rA:15nCCCCOCCCCCCOCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:4.93187
Area:413.288
Solvation:-5.40033
Coulombic:-21.5229
Bond Count [?]
All:15
Single:11
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:208.254
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.63
LogP (Chemaxon):2.42

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