Chemical ID: 5753681

COC(=O)c1ccc(cc1)C(=O)OC
Chemical ID:
5753681
Name [?]:
dimethyl benzene-1,4-dicarboxylate
SMILES [?]:
COC(=O)c1ccc(cc1)C(=O)OC
InChi [?]:
InChI=1/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,6,10,7,9,5,8,3,11,4,12,2,13/E:(1,2)(3,4,5,6)(7,8)(9,10)(11,12)(13,14)/rA:14nCOCOCCCCCCCOOC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10O4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.02828
Area:376.013
Solvation:-2.37206
Coulombic:-40.1448
Bond Count [?]
All:14
Single:9
Double:5
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:194.184
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.89
LogP (Chemaxon):1.14

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Descriptor Annotations

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