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Chemical ID: 6832021
Chemical ID:
6832021
Name [?]:
2-(2-naphthyl)acetate
SMILES [?]:
c1ccc2cc(ccc2c1)CC(=O)[O-]
InChi [?]:
InChI=1/C12H10O2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,13,14)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,10,3,7,8,5,11,6,9,4,12,13,14/E:(13,14)/rA:14nCCCCCCCCCCCCOO-/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H9O2- |
All Atoms: | 23 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -35.2345 |
Area: | 352.006 |
Solvation: | -44.0346 |
Coulombic: | -0.104415 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 185.199 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.23 |
LogP (Chemaxon): | 2.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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