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Chemical ID: 5032461
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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