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Chemical ID: 4371673
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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