Chemical ID: 7090524

CCOC(=O)CC(=O)c1ccc(cc1)Oc2ccccc2
Chemical ID:
7090524
Name [?]:
ethyl 3-oxo-3-(4-phenoxyphenyl)-propanoate
SMILES [?]:
CCOC(=O)CC(=O)c1ccc(cc1)Oc2ccccc2
InChi [?]:
InChI=1/C17H16O4/c1-2-20-17(19)12-16(18)13-8-10-15(11-9-13)21-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,19,18,20,17,21,10,14,11,13,6,9,16,12,7,4,8,5,3,15/E:(4,5)(6,7)(8,9)(10,11)/rA:21nCCOCOCCOCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s7;s9;d10;s11;d12;d9s13;s12;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16O4
All Atoms:37
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.63429
Area:495.101
Solvation:-4.74325
Coulombic:-32.8441
Bond Count [?]
All:22
Single:14
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:284.307
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.87
LogP (Chemaxon):3.02

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Descriptor Annotations

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