Chemical ID: 5080379

Cc1ccc(c(c1)c2cc(ccc2C(=O)O)C)C(=O)O
Chemical ID:
5080379
Name [?]:
2-(2-carboxy-5-methyl-phenyl)-4-methyl-benzoic acid
SMILES [?]:
Cc1ccc(c(c1)c2cc(ccc2C(=O)O)C)C(=O)O
InChi [?]:
InChI=1/C16H14O4/c1-9-3-5-11(15(17)18)13(7-9)14-8-10(2)4-6-12(14)16(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,17,3,11,4,12,7,9,2,10,5,13,6,8,18,14,19,20,15,16/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18,19,20)/gE:(1,2)/rA:20nCCCCCCCCCCCCCCOOCCOO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;d8s12;s13;d14;s14;s10;s5;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.47918
Area:434.14
Solvation:-2.37432
Coulombic:-57.0758
Bond Count [?]
All:21
Single:13
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:270.28
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.07
LogP (Chemaxon):3.7

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