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Chemical ID: 5251687
Chemical ID:
5251687
Name [?]:
ethyl 3-(4-methoxyphenyl)propanoate
SMILES [?]:
CCOC(=O)CCc1ccc(cc1)OC
InChi [?]:
InChI=1/C12H16O3/c1-3-15-12(13)9-6-10-4-7-11(14-2)8-5-10/h4-5,7-8H,3,6,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,9,13,7,10,12,6,8,11,4,5,14,3/E:(4,5)(7,8)/rA:15nCCOCOCCCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16O3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.24651 |
Area: | 415.443 |
Solvation: | -3.13957 |
Coulombic: | -25.9854 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 208.254 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.28 |
LogP (Chemaxon): | 2.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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