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Chemical ID: 6529552
Chemical ID:
6529552
Name [?]:
dimethyl hexanedioate
SMILES [?]:
COC(=O)CCCCC(=O)OC
InChi [?]:
InChI=1/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,6,7,5,8,3,9,4,10,2,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:12nCOCOCCCCCOOC/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s9;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H14O4 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.35574 |
Area: | 375.695 |
Solvation: | -3.03662 |
Coulombic: | -35.1888 |
Bond Count [?]
All: | 11 |
Single: | 9 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 174.194 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 0.65 |
LogP (Chemaxon): | 0.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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