Chemical ID: 4684136

CCOC(=O)COc1cccc(c1C=O)OC
Chemical ID:
4684136
Name [?]:
ethyl 2-(2-formyl-3-methoxy-phenoxy)acetate
SMILES [?]:
CCOC(=O)COc1cccc(c1C=O)OC
InChi [?]:
InChI=1/C12H14O5/c1-3-16-12(14)8-17-11-6-4-5-10(15-2)9(11)7-13/h4-7H,3,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,2,10,11,9,14,6,13,12,8,4,15,5,16,3,7/rA:17nCCOCOCOCCCCCCCOOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s13;d14;s12;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14O5
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:4.73939
Area:436.663
Solvation:-6.17718
Coulombic:-39.3571
Bond Count [?]
All:17
Single:12
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:238.237
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.67
LogP (Chemaxon):1.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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