Chemical ID: 6691900

COc1cc(ccc1O)C(=O)O
Chemical ID:
6691900
Name [?]:
4-hydroxy-3-methoxy-benzoic acid
SMILES [?]:
COc1cc(ccc1O)C(=O)O
InChi [?]:
InChI=1/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,6,7,4,5,8,3,10,9,11,12,2/E:(10,11)/rA:12nCOCCCCCCOCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8O4
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:4.22086
Area:323.127
Solvation:-3.85733
Coulombic:-50.2484
Bond Count [?]
All:12
Single:8
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:168.147
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.15
LogP (Chemaxon):1.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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