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Chemical ID: 6710326
Chemical ID:
6710326
Name [?]:
3-(3-phenoxyphenyl)prop-2-enoate
SMILES [?]:
c1ccc(cc1)Oc2cccc(c2)C=CC(=O)[O-]
InChi [?]:
InChI=1/C15H12O3/c16-15(17)10-9-12-5-4-8-14(11-12)18-13-6-2-1-3-7-13/h1-11H,(H,16,17)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,10,11,3,5,9,14,15,13,12,4,8,16,17,18,7/E:(2,3)(6,7)(16,17)/rA:18nCCCCCCOCCCCCCCCCOO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s12;w14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11O3- |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -33.634 |
Area: | 415.464 |
Solvation: | -44.0206 |
Coulombic: | -9.45784 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 239.246 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.91 |
LogP (Chemaxon): | 3.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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