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Chemical ID: 4253631
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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Experimental Annotations
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Descriptor Annotations
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