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Chemical ID: 6462705
Chemical ID:
6462705
Name [?]:
o-tolyl 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)Oc2ccccc2C
InChi [?]:
InChI=1/C15H14O2/c1-11-7-9-13(10-8-11)15(16)17-14-6-4-3-5-12(14)2/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,14,13,15,12,3,7,4,6,2,16,5,11,8,9,10/E:(7,8)(9,10)/rA:17nCCCCCCCCOOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.29652 |
Area: | 415.957 |
Solvation: | -1.10241 |
Coulombic: | -23.0136 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 226.27 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.19 |
LogP (Chemaxon): | 4.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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