Chemical ID: 4559508

COc1ccc(cc1O)C(C(=O)O)O
Chemical ID:
4559508
Name [?]:
2-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-acetic acid
SMILES [?]:
COc1ccc(cc1O)C(C(=O)O)O
InChi [?]:
InChI=1/C9H10O5/c1-14-7-3-2-5(4-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,5,4,7,6,8,3,10,11,9,14,12,13,2/E:(12,13)/rA:14cCOCCCCCCOCCOOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;s10;d11;s11;s10;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10O5
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:3.79716
Area:359.838
Solvation:-5.19879
Coulombic:-67.1898
Bond Count [?]
All:14
Single:10
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:198.173
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:-0.03
LogP (Chemaxon):0.71

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Descriptor Annotations

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