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Chemical ID: 7154907
Chemical ID:
7154907
Name [?]:
2-benzyloxynaphthalene-1-carboxylic acid
SMILES [?]:
c1ccc(cc1)COc2ccc3ccccc3c2C(=O)O
InChi [?]:
InChI=1/C18H14O3/c19-18(20)17-15-9-5-4-8-14(15)10-11-16(17)21-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,15,3,5,13,16,11,10,7,4,12,17,9,18,19,20,21,8/E:(2,3)(6,7)(19,20)/rA:21nCCCCCCCOCCCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;s12;d13;s14;d15;d12s16;d9s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14O3 |
All Atoms: | 35 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.53092 |
Area: | 474.99 |
Solvation: | -3.34384 |
Coulombic: | -38.0734 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 278.302 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.53 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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