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Chemical ID: 4948974
Chemical ID:
4948974
Name [?]:
2-(2-hydroxyethoxy)ethyl 2-hydroxypropanoate
SMILES [?]:
CC(C(=O)OCCOCCO)O
InChi [?]:
InChI=1/C7H14O5/c1-6(9)7(10)12-5-4-11-3-2-8/h6,8-9H,2-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,7,6,2,3,11,12,4,8,5/rA:12cCCCOOCCOCCOO/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s10;s2;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H14O5 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 2.76887 |
Area: | 372.433 |
Solvation: | -6.54195 |
Coulombic: | -58.5006 |
Bond Count [?]
All: | 11 |
Single: | 10 |
Double: | 1 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 178.183 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | -1.17 |
LogP (Chemaxon): | -0.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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