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Chemical ID: 6326301
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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