Chemical ID: 7978270

Cc1cccc(c1C)OCCOc2c(cccc2OC)\C=N\O
Chemical ID:
7978270
Name [?]:
2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxy-benzaldehyde oxime
SMILES [?]:
Cc1cccc(c1C)OCCOc2c(cccc2OC)\C=N\O
InChi [?]:
InChI=1/C18H21NO4/c1-13-6-4-8-16(14(13)2)22-10-11-23-18-15(12-19-20)7-5-9-17(18)21-3/h4-9,12,20H,10-11H2,1-3H3/b19-12+
InChi Info:
AuxInfo=1/0/N:1,8,20,4,16,3,15,5,17,10,11,21,2,7,14,6,18,13,22,23,19,9,12/rA:23nCCCCCCCCOCCOCCCCCCOCCNO/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s14;d21;s22;/rC:-.0184,1.5028,.0103;.0021,-.0041,.002;.0057,-.6883,-1.1997;.0244,-2.0706,-1.2107;.0391,-2.7719,-.0203;.0355,-2.0879,1.1864;.0229,-.7004,1.1947;.0194,.0459,2.5039;.05,-2.7755,2.3585;.0669,-4.1643,2.0225;.0838,-4.999,3.3047;-1.1368,-4.798,4.0201;-1.0641,-5.5601,5.1425;-1.5232,-6.8823,5.1256;-1.4433,-7.6572,6.2854;-.9142,-7.1186,7.4391;-.4603,-5.811,7.4558;-.5283,-5.0322,6.3116;-.08,-3.7484,6.3351;.394,-3.5007,7.6602;-2.0889,-7.4546,3.8896;-2.1618,-6.734,2.8173;-2.7049,-7.2835,1.6306;

Chemical Details

Atom Count
Formula:C18H21NO4
All Atoms:44
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:6.00344
Area:525.416
Solvation:-7.13197
Coulombic:-34.3717
Bond Count [?]
All:45
Single:38
Double:7
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:315.364
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.78
LogP (Chemaxon):3.73

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