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Chemical ID: 6633518
Chemical ID:
6633518
Name [?]:
2-hydroxy-2-(4-hydroxyphenyl)-acetic acid
SMILES [?]:
c1cc(ccc1C(C(=O)O)O)O
InChi [?]:
InChI=1/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,6,3,7,8,12,11,9,10/E:(1,2)(3,4)(11,12)/rA:12cCCCCCCCCOOOO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s7;s3;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H8O4 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.60676 |
Area: | 324.462 |
Solvation: | -3.5048 |
Coulombic: | -60.7916 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 168.147 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.05 |
LogP (Chemaxon): | 0.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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