Chemical ID: 6657566

CC(=O)Oc1cc(ccc1OC)C=O
Chemical ID:
6657566
Name [?]:
(5-formyl-2-methoxy-phenyl) acetate
SMILES [?]:
CC(=O)Oc1cc(ccc1OC)C=O
InChi [?]:
InChI=1/C10H10O4/c1-7(12)14-10-5-8(6-11)3-4-9(10)13-2/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,8,9,6,13,2,7,10,5,14,3,11,4/rA:14nCCOOCCCCCCOCCO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s7;d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10O4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:4.86766
Area:363.925
Solvation:-4.23046
Coulombic:-31.5465
Bond Count [?]
All:14
Single:9
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:194.184
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.15
LogP (Chemaxon):0.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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