Chemical ID: 7116959

Cc1ccc(cc1)Oc2ccc(cc2)C=CC(=O)O
Chemical ID:
7116959
Name [?]:
3-[4-(4-methylphenoxy)phenyl]prop-2-enoic acid
SMILES [?]:
Cc1ccc(cc1)Oc2ccc(cc2)C=CC(=O)O
InChi [?]:
InChI=1/C16H14O3/c1-12-2-7-14(8-3-12)19-15-9-4-13(5-10-15)6-11-16(17)18/h2-11H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,7,11,13,15,4,6,10,14,16,2,12,5,9,17,18,19,8/E:(2,3)(4,5)(7,8)(9,10)(17,18)/rA:19nCCCCCCCOCCCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;d12;d9s13;s12;w15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14O3
All Atoms:33
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.77077
Area:458.499
Solvation:-2.6917
Coulombic:-36.7224
Bond Count [?]
All:20
Single:12
Double:8
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:254.281
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.83
LogP (Chemaxon):4.05

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