Chemical ID: 5032461

CCOc1ccc(cc1OC)C2OCCO2
Chemical ID:
5032461
Name [?]:
2-(4-ethoxy-3-methoxy-phenyl)-1,3-dioxolane
SMILES [?]:
CCOc1ccc(cc1OC)C2OCCO2
InChi [?]:
InChI=1/C12H16O4/c1-3-14-10-5-4-9(8-11(10)13-2)12-15-6-7-16-12/h4-5,8,12H,3,6-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,6,5,14,15,8,7,4,9,12,10,3,13,16/E:(6,7)(15,16)/rA:16nCCOCCCCCCOCCOCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;s12;s13;s14;s12s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16O4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:4.21696
Area:406.372
Solvation:-5.94235
Coulombic:-31.5655
Bond Count [?]
All:17
Single:14
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:224.253
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.56
LogP (Chemaxon):1.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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