Chemical ID: 4952823

CCOC(=O)C(C)C(c1ccc(c(c1)OC)OC)O
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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