GTQ

2,5-dihydroxybenzoic acid

Created: 2009-09-17
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count17
Chiral Atom Count0
Bond Count17
Aromatic Bond Count6
2D diagram of GTQ
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Chemical Component Summary

Name2,5-dihydroxybenzoic acid
Systematic Name (OpenEye OEToolkits)2,5-dihydroxybenzoic acid
FormulaC7 H6 O4
Molecular Weight154.12
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs11.02O=C(O)c1cc(O)ccc1O
SMILESCACTVS3.352OC(=O)c1cc(O)ccc1O
SMILESOpenEye OEToolkits1.7.0c1cc(c(cc1O)C(=O)O)O
Canonical SMILESCACTVS3.352 OC(=O)c1cc(O)ccc1O
Canonical SMILESOpenEye OEToolkits1.7.0 c1cc(c(cc1O)C(=O)O)O
InChIInChI1.03 InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
InChIKeyInChI1.03 WXTMDXOMEHJXQO-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 3469
ChEMBL CHEMBL1461
ChEBI CHEBI:17189
CCDC/CSD PEKSAB, PEKRUU01, PEKRUU, JIWJEH, PEKTAC, BESKAL, TUFNUF, BUVQER, EBONER, ZEZHIV, DUQXOF, PEKSUV, YOVVOW, NAKYOQ, XAQQOW, BESKAL04, DAVPAS, GAXSAB, DUCROJ, LAGTAR, CUSZIA, FENQEX, BESKAL05, NURFOW, CUSZIA01, PEKREE, GIJSOK, HOWLEN, BESKAL06, BESKAL03, OCIKUJ, AJAGUN, QULLUF02, NEKDEN, BESKAL09, SOCMAA, BESKAL07, BESKAL08, QULLUF, ETAZEF, BESKAL11, BESKAL12, BESKAL10, OKEYOV, AVEHIV, CUWGAF, RADXIH, APUVUF, JAPBAH
COD 4507052, 7053268, 7053269, 7053270, 4505813, 7053273, 7053271, 7053272, 7206235, 7053278, 7053279, 7053277, 4507054