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Chemical ID: 4705782
Chemical ID:
4705782
Name [?]:
methyl 2-[4-(1-methoxycarbonylethoxy)phenoxy]propanoate
SMILES [?]:
CC(C(=O)OC)Oc1ccc(cc1)OC(C)C(=O)OC
InChi [?]:
InChI=1/C14H18O6/c1-9(13(15)17-3)19-11-5-7-12(8-6-11)20-10(2)14(16)18-4/h5-10H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,16,6,20,9,13,10,12,2,15,8,11,3,17,4,18,5,19,7,14/E:(1,2)(3,4)(5,6,7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:20cCCCOOCOCCCCCCOCCCOOC/rB:s1;s2;d3;s3;s5;s2;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;s15;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18O6 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.20451 |
Area: | 499.01 |
Solvation: | -5.27073 |
Coulombic: | -54.1695 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 282.289 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.31 |
LogP (Chemaxon): | 1.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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