Chemical ID: 5261154

CCOC(=O)C=Cc1ccc(c(c1)O)O
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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Descriptor Annotations

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