HBD

4-HYDROXYBENZAMIDE

Created:1999-07-08
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 HBD

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Chemical Component Summary

Name4-HYDROXYBENZAMIDE
Systematic Name (OpenEye OEToolkits)4-hydroxybenzamide
FormulaC7 H7 N O2
Molecular Weight137.136
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(c1ccc(O)cc1)N
SMILESCACTVS3.341NC(=O)c1ccc(O)cc1
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1C(=O)N)O
Canonical SMILESCACTVS3.341 NC(=O)c1ccc(O)cc1
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(ccc1C(=O)N)O
InChIInChI1.03 InChI=1S/C7H7NO2/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10)
InChIKeyInChI1.03 QXSAKPUBHTZHKW-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 65052
ChEMBL CHEMBL123617
CCDC/CSD EXAPID01, PAHHAK, JIXCOI01, UFEVUZ, LIDPUM01, GESBEN, PAHHEO, GESCUE, QEDVUS, JIXCOI, LIDMOD, GESBAJ, YEVMIY, VIDMAX, GESCIS, VIGGEY, KIJSIH01, VIGGIC, GESBUD, JIXCOI02, GERZUA, FOTCUO, GESCEO, FOTDEZ, LIDNOE, GESCOY, GESBIR, VIVZUV, VIDMAX02, SOGSEP, GESCAK, FOTDID, LIDPUM, OCUHEC, LIDNEU, FOTDAV, GESBIR01, KIJSIH, LIDNUK, YECWUC
COD 4507099, 2236204, 2213604, 4507098, 4507100, 4507093