Chemical ID: 6680729

c1ccc(cc1)C(=O)Oc2ccccc2
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

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Descriptor Annotations

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