Chemical ID: 6486137

CC(C)(C)C(=O)Oc1ccc(cc1)C=CC(=O)c2ccccc2
Chemical ID:
6486137
Name [?]:
[4-(3-oxo-3-phenyl-prop-1-enyl)phenyl] 2,2-dimethylpropanoate
SMILES [?]:
CC(C)(C)C(=O)Oc1ccc(cc1)C=CC(=O)c2ccccc2
InChi [?]:
InChI=1/C20H20O3/c1-20(2,3)19(22)23-17-12-9-15(10-13-17)11-14-18(21)16-7-5-4-6-8-16/h4-14H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,21,20,22,19,23,10,12,14,9,13,15,11,18,8,16,5,2,17,6,7/E:(1,2,3)(5,6)(7,8)(9,10)(12,13)/rA:23nCCCCCOOCCCCCCCCCOCCCCCC/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;w14;s15;d16;s16;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.2816
Area:527.659
Solvation:-2.90992
Coulombic:-29.9351
Bond Count [?]
All:24
Single:15
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:308.371
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.38
LogP (Chemaxon):5.37

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Descriptor Annotations

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