Chemical ID: 6676345

CC(=O)Oc1ccc(cc1)C=Cc2ccccc2
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

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Descriptor Annotations

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