Chemical ID: 6299638

Cc1cccc(c1)OCc2ccc(o2)C(=O)OC
Chemical ID:
6299638
Name [?]:
methyl 5-[(3-methylphenoxy)methyl]furan-2-carboxylate
SMILES [?]:
Cc1cccc(c1)OCc2ccc(o2)C(=O)OC
InChi [?]:
InChI=1/C14H14O4/c1-10-4-3-5-11(8-10)17-9-12-6-7-13(18-12)14(15)16-2/h3-8H,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,4,3,5,11,12,7,9,2,6,10,13,15,16,17,8,14/rA:18nCCCCCCCOCCCCCOCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;s10s13;s13;d15;s15;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14O4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.39644
Area:453.278
Solvation:-3.93552
Coulombic:-36.6129
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:246.259
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.73
LogP (Chemaxon):2.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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