Chemical ID: 6709690

c1ccc2cc(ccc2c1)OCc3ccc(o3)C(=O)[O-]
Chemical ID:
6709690
Name [?]:
5-(2-naphthyloxymethyl)furan-2-carboxylate
SMILES [?]:
c1ccc2cc(ccc2c1)OCc3ccc(o3)C(=O)[O-]
InChi [?]:
InChI=1/C16H12O4/c17-16(18)15-8-7-14(20-15)10-19-13-6-5-11-3-1-2-4-12(11)9-13/h1-9H,10H2,(H,17,18)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,10,3,8,7,14,15,5,12,9,4,6,13,16,18,19,20,11,17/E:(17,18)/rA:20nCCCCCCCCCCOCCCCCOCOO-/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;s12;d13;s14;d15;s13s16;s16;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11O4-
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-35.9149
Area:464.185
Solvation:-47.5195
Coulombic:-16.6075
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:267.256
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.76
LogP (Chemaxon):2.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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