Chemical ID: 4371673

COc1cc(ccc1OCC(=O)OC)C=O
Chemical ID:
4371673
Name [?]:
methyl 2-(4-formyl-2-methoxy-phenoxy)acetate
SMILES [?]:
COc1cc(ccc1OCC(=O)OC)C=O
InChi [?]:
InChI=1/C11H12O5/c1-14-10-5-8(6-12)3-4-9(10)16-7-11(13)15-2/h3-6H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,6,7,4,15,10,5,8,3,11,16,12,2,13,9/rA:16nCOCCCCCCOCCOOCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s5;d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12O5
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:3.30072
Area:417.413
Solvation:-7.1346
Coulombic:-38.7686
Bond Count [?]
All:16
Single:11
Double:5
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:224.21
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.98
LogP (Chemaxon):0.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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