Chemical ID: 6326301

COc1ccc(cc1)CCC(=O)OC
Chemical ID:
6326301
Name [?]:
methyl 3-(4-methoxyphenyl)propanoate
SMILES [?]:
COc1ccc(cc1)CCC(=O)OC
InChi [?]:
InChI=1/C11H14O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-4,6-7H,5,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,5,7,9,4,8,10,6,3,11,12,2,13/E:(3,4)(6,7)/rA:14nCOCCCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.46126
Area:388.224
Solvation:-3.24435
Coulombic:-25.6738
Bond Count [?]
All:14
Single:10
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:194.227
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.85
LogP (Chemaxon):1.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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