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Chemical ID: 5753681
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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