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Chemical ID: 6918173
Chemical ID:
6918173
Name [?]:
2-(6-methoxy-2-naphthyl)propanoate
SMILES [?]:
CC(c1ccc2cc(ccc2c1)OC)C(=O)[O-]
InChi [?]:
InChI=1/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,14,4,5,10,9,12,7,2,3,11,6,8,15,16,17,13/E:(15,16)/rA:17cCCCCCCCCCCCCOCCOO-/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;d3s11;s8;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13O3- |
All Atoms: | 30 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -34.7394 |
Area: | 408.529 |
Solvation: | -44.9526 |
Coulombic: | -6.76571 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 229.251 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.36 |
LogP (Chemaxon): | 2.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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