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Chemical ID: 6691900
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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