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Chemical ID: 7118586
Chemical ID:
7118586
Name [?]:
2-(4-methoxyphenyl)acetate
SMILES [?]:
COc1ccc(cc1)CC(=O)[O-]
InChi [?]:
InChI=1/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)/p-1
InChi Info:
AuxInfo=1/1/N:1,5,7,4,8,9,6,3,10,11,12,2/E:(2,3)(4,5)(10,11)/rA:12nCOCCCCCCCCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H9O3- |
All Atoms: | 21 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -36.2538 |
Area: | 329.525 |
Solvation: | -44.4919 |
Coulombic: | -6.39826 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 165.166 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.88 |
LogP (Chemaxon): | 1.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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