Chemical ID: 6638286

CC(=O)Oc1cc(c(cc1OC)OC)C=CC(=O)O
Chemical ID:
6638286
Name [?]:
3-(5-acetoxy-2,4-dimethoxy-phenyl)prop-2-enoic acid
SMILES [?]:
CC(=O)Oc1cc(c(cc1OC)OC)C=CC(=O)O
InChi [?]:
InChI=1/C13H14O6/c1-8(14)19-12-6-9(4-5-13(15)16)10(17-2)7-11(12)18-3/h4-7H,1-3H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,14,12,15,16,6,9,2,7,8,10,5,17,3,18,19,13,11,4/E:(15,16)/rA:19nCCOOCCCCCCOCOCCCCOO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;s13;s7;w15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14O6
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:5.36669
Area:443.534
Solvation:-5.72167
Coulombic:-57.355
Bond Count [?]
All:19
Single:13
Double:6
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:266.247
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.26
LogP (Chemaxon):1.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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