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Chemical ID: 6431020
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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Experimental Annotations
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Descriptor Annotations
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