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Chemical ID: 6676345
Chemical ID:
6676345
Name [?]:
(4-styrylphenyl) acetate
SMILES [?]:
CC(=O)Oc1ccc(cc1)C=Cc2ccccc2
InChi [?]:
InChI=1/C16H14O2/c1-13(17)18-16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-12H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,14,18,12,11,7,9,6,10,2,13,8,5,3,4/E:(3,4)(5,6)(9,10)(11,12)/rA:18nCCOOCCCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.57665 |
Area: | 424.918 |
Solvation: | -2.04631 |
Coulombic: | -20.7084 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 238.281 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.44 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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