Chemical ID: 3966645

COc1cc(ccc1O)C=CC(=O)O
Chemical ID:
3966645
Name [?]:
3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid
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)
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:C10H10O4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:4.39807
Area:352.664
Solvation:-4.41853
Coulombic:-50.0758
Bond Count [?]
All:14
Single:9
Double:5
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:194.184
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.42
LogP (Chemaxon):1.62

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Descriptor Annotations

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