Chemical ID: 5758462

c1ccc(cc1)Oc2cccc(c2)C=CC(=O)O
Chemical ID:
5758462
Name [?]:
3-(3-phenoxyphenyl)prop-2-enoic acid
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)
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:C15H12O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.61908
Area:418.616
Solvation:-2.84633
Coulombic:-36.6486
Bond Count [?]
All:19
Single:11
Double:8
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:240.254
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.39
LogP (Chemaxon):3.58

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