Chemical ID: 5467430

CC1CC1C(=O)OCc2cc(=O)oc3c2c4ccccc4cc3
Chemical ID:
5467430
Name [?]:
None
SMILES [?]:
CC1CC1C(=O)OCc2cc(=O)oc3c2c4ccccc4cc3
InChi [?]:
InChI=1/C19H16O4/c1-11-8-15(11)19(21)22-10-13-9-17(20)23-16-7-6-12-4-2-3-5-14(12)18(13)16/h2-7,9,11,15H,8,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,17,22,23,3,10,8,2,21,9,16,4,14,11,15,5,12,6,7,13/rA:23cCCCCCOOCCCCOOCCCCCCCCCC/rB:s1;s2;s2s3;s4;d5;s5;s7;s8;d9;s10;d11;s11;s13;s9s14;d15;s16;d17;s18;d19;s16s20;d21;d14s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:9.70384
Area:499.724
Solvation:-2.78927
Coulombic:-38.8739
Bond Count [?]
All:26
Single:18
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:308.328
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.6
LogP (Chemaxon):3.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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