Chemical ID: 5801505

Cc1ccc(cc1)C(=O)OCC2CC(C(O2)OC)O
Chemical ID:
5801505
Name [?]:
(4-hydroxy-5-methoxy-tetrahydrofuran-2-yl)methyl 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)OCC2CC(C(O2)OC)O
InChi [?]:
InChI=1/C14H18O5/c1-9-3-5-10(6-4-9)13(16)18-8-11-7-12(15)14(17-2)19-11/h3-6,11-12,14-15H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,3,7,4,6,13,11,2,5,12,14,8,15,19,9,17,10,16/E:(3,4)(5,6)/rA:19cCCCCCCCCOOCCCCCOOCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s14;s12s15;s15;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18O5
All Atoms:19
Heavy Atoms:19
Chiral Atoms:3
ZAP Information [?]
Total:6.56004
Area:474.39
Solvation:-5.2997
Coulombic:-53.9531
Bond Count [?]
All:20
Single:16
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:266.29
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.7
LogP (Chemaxon):1.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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