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Chemical ID: 6680729
Chemical ID:
6680729
Name [?]:
phenyl benzoate
SMILES [?]:
c1ccc(cc1)C(=O)Oc2ccccc2
InChi [?]:
InChI=1/C13H10O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H
InChi Info:
AuxInfo=1/0/N:1,13,2,6,12,14,3,5,11,15,4,10,7,8,9/E:(3,4)(5,6)(7,8)(9,10)/rA:15nCCCCCCCOOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.13024 |
Area: | 379.877 |
Solvation: | -1.36667 |
Coulombic: | -22.8983 |
Bond Count [?]
All: | 16 |
Single: | 9 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 198.217 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.52 |
LogP (Chemaxon): | 3.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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