Chemical ID: 6694836

Cc1ccc(cc1)OCC(=O)OC
Chemical ID:
6694836
Name [?]:
methyl 2-(4-methylphenoxy)acetate
SMILES [?]:
Cc1ccc(cc1)OCC(=O)OC
InChi [?]:
InChI=1/C10H12O3/c1-8-3-5-9(6-4-8)13-7-10(11)12-2/h3-6H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,3,7,4,6,9,2,5,10,11,12,8/E:(3,4)(5,6)/rA:13nCCCCCCCOCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12O3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.76805
Area:362.345
Solvation:-3.29056
Coulombic:-27.0545
Bond Count [?]
All:13
Single:9
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:180.2
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.08
LogP (Chemaxon):1.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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