Chemical ID: 7090127

Cc1ccc(cc1)c2ccccc2C(=O)OC
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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