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Chemical ID: 7090127
Chemical ID:
7090127
Name [?]:
methyl 2-(p-tolyl)benzoate
SMILES [?]:
Cc1ccc(cc1)c2ccccc2C(=O)OC
InChi [?]:
InChI=1/C15H14O2/c1-11-7-9-12(10-8-11)13-5-3-4-6-14(13)15(16)17-2/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,10,11,9,12,3,7,4,6,2,5,8,13,14,15,16/E:(7,8)(9,10)/rA:17nCCCCCCCCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14O2 |
All Atoms: | 31 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.35083 |
Area: | 405.108 |
Solvation: | -1.77687 |
Coulombic: | -22.4301 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 226.27 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.34 |
LogP (Chemaxon): | 3.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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