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Chemical ID: 5261154
Chemical ID:
5261154
Name [?]:
ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
SMILES [?]:
CCOC(=O)C=Cc1ccc(c(c1)O)O
InChi [?]:
InChI=1/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,7,10,6,13,8,11,12,4,15,14,5,3/rA:15nCCOCOCCCCCCCCOO/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s12;s11;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12O4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.88838 |
Area: | 380.791 |
Solvation: | -3.6314 |
Coulombic: | -51.8939 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 208.211 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.27 |
LogP (Chemaxon): | 1.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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