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Chemical ID: 5251864
Chemical ID:
5251864
Name [?]:
2-(5,8-dimethyl-1-naphthyl)propanoic acid
SMILES [?]:
Cc1ccc(c2c1cccc2C(C)C(=O)O)C
InChi [?]:
InChI=1/C15H16O2/c1-9-7-8-10(2)14-12(9)5-4-6-13(14)11(3)15(16)17/h4-8,11H,1-3H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,17,13,9,8,10,3,4,2,5,12,7,11,6,14,15,16/E:(16,17)/rA:17cCCCCCCCCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s11;s12;s12;d14;s14;s5;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.43187 |
Area: | 380.405 |
Solvation: | -2.07825 |
Coulombic: | -28.0415 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 228.286 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.8 |
LogP (Chemaxon): | 4.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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