Chemical ID: 5259937

CC12c3ccccc3C(=O)C1(OC(O2)(C)OC)c4ccccc4
Chemical ID:
5259937
Name [?]:
None
SMILES [?]:
CC12c3ccccc3C(=O)C1(OC(O2)(C)OC)c4ccccc4
InChi [?]:
InChI=1/C19H18O4/c1-17-15-12-8-7-11-14(15)16(20)19(17,13-9-5-4-6-10-13)23-18(2,21-3)22-17/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,17,21,20,22,6,5,19,23,7,4,18,8,3,9,2,13,11,10,16,14,12/E:(5,6)(9,10)/rA:23cCCCCCCCCCOCOCOCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s2s9;s11;s12;s2s13;s13;s13;s16;s11;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:3
ZAP Information [?]
Total:8.12328
Area:458.159
Solvation:-3.33069
Coulombic:-41.476
Bond Count [?]
All:26
Single:19
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:310.344
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.05
LogP (Chemaxon):3.52

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