Chemical ID: 6831863

COc1cc(ccc1O)C=CC(=O)[O-]
Chemical ID:
6831863
Name [?]:
3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
SMILES [?]:
COc1cc(ccc1O)C=CC(=O)[O-]
InChi [?]:
InChI=1/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/p-1
InChi Info:
AuxInfo=1/1/N:1,6,10,7,11,4,5,8,3,12,9,13,14,2/E:(12,13)/rA:14nCOCCCCCCOCCCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9O4-
All Atoms:23
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-35.1795
Area:352.38
Solvation:-43.989
Coulombic:-24.5127
Bond Count [?]
All:14
Single:9
Double:5
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:193.176
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.94
LogP (Chemaxon):1.62

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Descriptor Annotations

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