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Chemical ID: 3964543
Chemical ID:
3964543
Name [?]:
2-(6-methoxy-2-naphthyl)propanoyloxysodium
SMILES [?]:
CC(c1ccc2cc(ccc2c1)OC)C(=O)O[Na]
InChi [?]:
InChI=1/C14H14O3.Na/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);/q;+1/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;18/E:(15,16);/rA:18cCCCCCCCCCCCCOCCOONa/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;d3s11;s8;s13;s2;d15;s15;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13NaO3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 0.0 |
Area: | 0.0 |
Solvation: | 0.0 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 252.241 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.87 |
LogP (Chemaxon): | 3.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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