Chemical ID: 6684057

COC(=O)CC(=O)OCc1ccccc1
Chemical ID:
6684057
Name [?]:
methyl benzyl propanedioate
SMILES [?]:
COC(=O)CC(=O)OCc1ccccc1
InChi [?]:
InChI=1/C11H12O4/c1-14-10(12)7-11(13)15-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,11,15,5,9,10,3,6,4,7,2,8/E:(3,4)(5,6)/rA:15nCOCOCCOOCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12O4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.44238
Area:402.174
Solvation:-3.61198
Coulombic:-35.7056
Bond Count [?]
All:15
Single:10
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:208.211
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.05
LogP (Chemaxon):1.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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