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Chemical ID: 5779727
Chemical ID:
5779727
Name [?]:
3-(4-methoxyphenoxy)propane-1,2-diol
SMILES [?]:
COc1ccc(cc1)OCC(CO)O
InChi [?]:
InChI=1/C10H14O4/c1-13-9-2-4-10(5-3-9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,8,5,7,12,10,11,3,6,13,14,2,9/E:(2,3)(4,5)/rA:14cCOCCCCCCOCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14O4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 2.88196 |
Area: | 383.634 |
Solvation: | -6.70889 |
Coulombic: | -46.4585 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 198.216 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.47 |
LogP (Chemaxon): | 0.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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