Chemical ID: 4705782

CC(C(=O)OC)Oc1ccc(cc1)OC(C)C(=O)OC
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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Descriptor Annotations

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