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Chemical ID: 4684136
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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