Chemical ID: 6431020

CC(=O)Oc1ccccc1C(=O)Oc2ccccc2
Chemical ID:
6431020
Name [?]:
phenyl 2-acetoxybenzoate
SMILES [?]:
CC(=O)Oc1ccccc1C(=O)Oc2ccccc2
InChi [?]:
InChI=1/C15H12O4/c1-11(16)18-14-10-6-5-9-13(14)15(17)19-12-7-3-2-4-8-12/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,8,7,15,19,9,6,2,14,10,5,11,3,12,4,13/E:(3,4)(7,8)/rA:19nCCOOCCCCCCCOOCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12O4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.64822
Area:442.496
Solvation:-2.41417
Coulombic:-38.9184
Bond Count [?]
All:20
Single:12
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:256.253
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.31
LogP (Chemaxon):2.77

Name Annotations

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Descriptor Annotations

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