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Chemical ID: 6831863
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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