Chemical ID: 7089013

Cc1ccc(cc1C)c2ccc(cc2)C(=O)O
Chemical ID:
7089013
Name [?]:
4-(3,4-dimethylphenyl)benzoic acid
SMILES [?]:
Cc1ccc(cc1C)c2ccc(cc2)C(=O)O
InChi [?]:
InChI=1/C15H14O2/c1-10-3-4-14(9-11(10)2)12-5-7-13(8-6-12)15(16)17/h3-9H,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,8,3,4,10,14,11,13,6,2,7,9,12,5,15,16,17/E:(5,6)(7,8)(16,17)/rA:17nCCCCCCCCCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;d9s13;s12;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14O2
All Atoms:31
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.70634
Area:418.037
Solvation:-1.74459
Coulombic:-30.0446
Bond Count [?]
All:18
Single:11
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:226.27
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.45
LogP (Chemaxon):4.18

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue