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Chemical ID: 4952823
Chemical ID:
4952823
Name [?]:
ethyl 3-(3,4-dimethoxyphenyl)-3-hydroxy-2-methyl-propanoate
SMILES [?]:
CCOC(=O)C(C)C(c1ccc(c(c1)OC)OC)O
InChi [?]:
InChI=1/C14H20O5/c1-5-19-14(16)9(2)13(15)10-6-7-11(17-3)12(8-10)18-4/h6-9,13,15H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,7,18,16,2,10,11,14,6,9,12,13,8,4,19,5,17,15,3/rA:19cCCOCOCCCCCCCCCOCOCO/rB:s1;s2;s3;d4;s4;s6;s6;s8;s9;d10;s11;d12;d9s13;s13;s15;s12;s17;s8;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20O5 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 4.93975 |
Area: | 471.287 |
Solvation: | -6.84244 |
Coulombic: | -48.3242 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 268.306 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.45 |
LogP (Chemaxon): | 1.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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