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Chemical ID: 4728475
Chemical ID:
4728475
Name [?]:
ethyl 2-(3-methoxyphenyl)acetate
SMILES [?]:
CCOC(=O)Cc1cccc(c1)OC
InChi [?]:
InChI=1/C11H14O3/c1-3-14-11(12)8-9-5-4-6-10(7-9)13-2/h4-7H,3,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,2,9,8,10,12,6,7,11,4,5,13,3/rA:14nCCOCOCCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.2979 |
Area: | 383.868 |
Solvation: | -3.2988 |
Coulombic: | -25.7705 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 194.227 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.11 |
LogP (Chemaxon): | 1.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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