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Chemical ID: 6132048
Chemical ID:
6132048
Name [?]:
1-[4-(2-methoxyphenyl)phenyl]ethanone
SMILES [?]:
CC(=O)c1ccc(cc1)c2ccccc2OC
InChi [?]:
InChI=1/C15H14O2/c1-11(16)12-7-9-13(10-8-12)14-5-3-4-6-15(14)17-2/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,12,13,11,14,5,9,6,8,2,4,7,10,15,3,16/E:(7,8)(9,10)/rA:17nCCOCCCCCCCCCCCCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d13;d10s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.11297 |
Area: | 414.895 |
Solvation: | -3.25941 |
Coulombic: | -16.8385 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 226.27 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.72 |
LogP (Chemaxon): | 2.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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