Chemical ID: 5000276

CC(=O)Oc1c2ccccc2cc3c1ccc(c3)OC
Chemical ID:
5000276
Name [?]:
(3-methoxy-9-anthryl) acetate
SMILES [?]:
CC(=O)Oc1c2ccccc2cc3c1ccc(c3)OC
InChi [?]:
InChI=1/C17H14O3/c1-11(18)20-17-15-6-4-3-5-12(15)9-13-10-14(19-2)7-8-16(13)17/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,9,8,10,7,16,15,12,18,2,11,13,17,6,14,5,3,19,4/rA:20nCCOOCCCCCCCCCCCCCCOC/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;d12;d5s13;s14;d15;s16;s13d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.74374
Area:440.994
Solvation:-3.28111
Coulombic:-26.5435
Bond Count [?]
All:22
Single:14
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:266.291
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.25
LogP (Chemaxon):3.3

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue