Chemical ID: 7088927

CC(CC(=O)c1ccc(c(c1)OC)OC)CC(=O)O
Chemical ID:
7088927
Name [?]:
5-(3,4-dimethoxyphenyl)-3-methyl-5-oxo-pentanoic acid
SMILES [?]:
CC(CC(=O)c1ccc(c(c1)OC)OC)CC(=O)O
InChi [?]:
InChI=1/C14H18O5/c1-9(7-14(16)17)6-11(15)10-4-5-12(18-2)13(8-10)19-3/h4-5,8-9H,6-7H2,1-3H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,15,13,7,8,3,16,11,2,6,4,9,10,17,5,18,19,14,12/E:(16,17)/rA:19cCCCCOCCCCCCOCOCCCOO/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;s12;s9;s14;s2;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18O5
All Atoms:37
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:5.03883
Area:467.097
Solvation:-6.63859
Coulombic:-46.4911
Bond Count [?]
All:19
Single:14
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:266.29
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.66
LogP (Chemaxon):1.37

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Descriptor Annotations

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