Chemical ID: 4357004

CCC(C)OC(=O)c1cccc(c1)c2ccc(cc2)OC(=O)C
Chemical ID:
4357004
Name [?]:
sec-butyl 3-(4-acetoxyphenyl)benzoate
SMILES [?]:
CCC(C)OC(=O)c1cccc(c1)c2ccc(cc2)OC(=O)C
InChi [?]:
InChI=1/C19H20O4/c1-4-13(2)22-19(21)17-7-5-6-16(12-17)15-8-10-18(11-9-15)23-14(3)20/h5-13H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,4,23,2,10,11,9,15,19,16,18,13,3,21,14,12,8,17,6,22,7,5,20/E:(8,9)(10,11)/rA:23cCCCCOCOCCCCCCCCCCCCOCOC/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;d8s12;s12;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:10.9854
Area:548.816
Solvation:-2.73499
Coulombic:-39.6621
Bond Count [?]
All:24
Single:16
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:312.36
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.92
LogP (Chemaxon):4.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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