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Chemical ID: 4950241
Chemical ID:
4950241
Name [?]:
2-[2-(2-hydroxypropanoyloxy)ethoxy]ethyl 2-hydroxypropanoate
SMILES [?]:
CC(C(=O)OCCOCCOC(=O)C(C)O)O
InChi [?]:
InChI=1/C10H18O7/c1-7(11)9(13)16-5-3-15-4-6-17-10(14)8(2)12/h7-8,11-12H,3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,7,9,6,10,2,14,3,12,17,16,4,13,8,5,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(16,17)/rA:17cCCCOOCCOCCOCOCCOO/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s10;s11;d12;s12;s14;s14;s2;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H18O7 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 4.30335 |
Area: | 477.342 |
Solvation: | -7.6302 |
Coulombic: | -77.8569 |
Bond Count [?]
All: | 16 |
Single: | 14 |
Double: | 2 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 250.246 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | -0.94 |
LogP (Chemaxon): | -0.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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