34D

3,5-DIHYDROXYBENZOATE

Created:2005-07-25
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 34D

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Chemical Component Summary

Name3,5-DIHYDROXYBENZOATE
Systematic Name (OpenEye OEToolkits)3,5-dihydroxybenzoic acid
FormulaC7 H6 O4
Molecular Weight154.12
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c1cc(O)cc(O)c1
SMILESCACTVS3.341OC(=O)c1cc(O)cc(O)c1
SMILESOpenEye OEToolkits1.5.0c1c(cc(cc1O)O)C(=O)O
Canonical SMILESCACTVS3.341 OC(=O)c1cc(O)cc(O)c1
Canonical SMILESOpenEye OEToolkits1.5.0 c1c(cc(cc1O)O)C(=O)O
InChIInChI1.03 InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)
InChIKeyInChI1.03 UYEMGAFJOZZIFP-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL95308
PubChem 7424
ChEMBL CHEMBL95308
ChEBI CHEBI:39912
CCDC/CSD UCEMEV, UGOHUV, UCEMEV01, HUSJEM, EZIFEZ, FOQRIO, SIJZOC, ACOPOA, OKEKEV, WUYPIQ, OKELOG, QOSXEE, HOWLUD, BOMBUC, WUYPAI, WOCHIH, VEFVIM, LUGGEB, HUSHEK, OKELIA, ODIDAJ, BEQWAV, MOZCEK, OKEJOE, OKEKAR, AGUTUT, WOCHIH01, TAYSAO, ODIDEN01, OKEJUK, OKEKIZ, UGOWOE, ODIDEN, OKELEW, UGOWAQ, WUYPEM, CENLIT, MOYSID, DUQXIZ, QAFSAU, OKEKUL, OBAFOQ, ATALUF, ATALOZ, APUYUI, ATAMEQ, ATAMOA, ATALEP, ATAMIU
COD 1556770, 4510993, 2311802, 4501679, 4510995, 4510992, 4501673