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Chemical ID: 6709690
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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