Chemical ID: 4253631

Cc1ccc(cc1)c2ccc(cc2)C(=O)O
Chemical ID:
4253631
Name [?]:
4-(p-tolyl)benzoic acid
SMILES [?]:
Cc1ccc(cc1)c2ccc(cc2)C(=O)O
InChi [?]:
InChI=1/C14H12O2/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)14(15)16/h2-9H,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,9,13,10,12,2,5,8,11,14,15,16/E:(2,3)(4,5)(6,7)(8,9)(15,16)/rA:16nCCCCCCCCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;d8s12;s11;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.23088
Area:398.239
Solvation:-1.72509
Coulombic:-30.2878
Bond Count [?]
All:17
Single:10
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:212.244
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.01
LogP (Chemaxon):3.71

Name Annotations

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Descriptor Annotations

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