B85

benzylphosphonic acid

Created:2009-08-19
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count20
Chiral Atom Count0
Bond Count20
Aromatic Bond Count6
2D diagram of B85

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Chemical Component Summary

Namebenzylphosphonic acid
Systematic Name (OpenEye OEToolkits)phenylmethylphosphonic acid
FormulaC7 H9 O3 P
Molecular Weight172.118
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02O=P(O)(O)Cc1ccccc1
SMILESCACTVS3.352O[P](O)(=O)Cc1ccccc1
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)CP(=O)(O)O
Canonical SMILESCACTVS3.352 O[P](O)(=O)Cc1ccccc1
Canonical SMILESOpenEye OEToolkits1.7.0 c1ccc(cc1)CP(=O)(O)O
InChIInChI1.03 InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
InChIKeyInChI1.03 OGBVRMYSNSKIEF-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 81312
ChEMBL CHEMBL299737