Chemical ID: 4161931

CC(=O)c1ccc(cc1)OC(=O)C(C)(C)C
Chemical ID:
4161931
Name [?]:
(4-acetylphenyl) 2,2-dimethylpropanoate
SMILES [?]:
CC(=O)c1ccc(cc1)OC(=O)C(C)(C)C
InChi [?]:
InChI=1/C13H16O3/c1-9(14)10-5-7-11(8-6-10)16-12(15)13(2,3)4/h5-8H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,14,15,16,5,9,6,8,2,4,7,11,13,3,12,10/E:(2,3,4)(5,6)(7,8)/rA:16nCCOCCCCCCOCOCCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.8195
Area:415.891
Solvation:-2.57778
Coulombic:-26.788
Bond Count [?]
All:16
Single:11
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:220.264
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.39
LogP (Chemaxon):2.71

Name Annotations

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Descriptor Annotations

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