strontium;hydride;3,4,5-trihydroxybenzoic acid

C7H8O5Sr — CID 173029021

IUPACstrontium;hydride;3,4,5-trihydroxybenzoic acid
SMILESO=C(O)c1cc(O)c(O)c(O)c1.[H-].[H-].[Sr+2]
InChIInChI=1S/C7H6O5.Sr.2H/c8-4-1-3(7(11)12)2-5(9)6(4)10;;;/h1-2,8-10H,(H,11,12);;;/q;+2;2*-1
InChIKeyMCZCBNBZEFHTHC-UHFFFAOYSA-N
MW259.76 g/mol
LogP0.35
Rot. Bonds1

About strontium;hydride;3,4,5-trihydroxybenzoic acid

strontium;hydride;3,4,5-trihydroxybenzoic acid (PubChem CID 173029021) has the molecular formula C7H8O5Sr and a molecular weight of 259.76 g/mol. Its IUPAC name is strontium;hydride;3,4,5-trihydroxybenzoic acid.

Molecular Properties

Compound Namestrontium;hydride;3,4,5-trihydroxybenzoic acid
PubChem CID173029021
Molecular FormulaC7H8O5Sr
Molecular Weight259.76 g/mol
Exact Mass259.94
IUPAC Namestrontium;hydride;3,4,5-trihydroxybenzoic acid
SMILESO=C(O)c1cc(O)c(O)c(O)c1.[H-].[H-].[Sr+2]
InChIInChI=1S/C7H6O5.Sr.2H/c8-4-1-3(7(11)12)2-5(9)6(4)10;;;/h1-2,8-10H,(H,11,12);;;/q;+2;2*-1
InChIKeyMCZCBNBZEFHTHC-UHFFFAOYSA-N
XLogP0.35
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of strontium;hydride;3,4,5-trihydroxybenzoic acid?
The IUPAC name of strontium;hydride;3,4,5-trihydroxybenzoic acid (CID 173029021) is strontium;hydride;3,4,5-trihydroxybenzoic acid.
What is the SMILES notation for strontium;hydride;3,4,5-trihydroxybenzoic acid?
The canonical SMILES for strontium;hydride;3,4,5-trihydroxybenzoic acid is O=C(O)c1cc(O)c(O)c(O)c1.[H-].[H-].[Sr+2].
What is the InChIKey of strontium;hydride;3,4,5-trihydroxybenzoic acid?
The InChIKey is MCZCBNBZEFHTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O5.Sr.2H/c8-4-1-3(7(11)12)2-5(9)6(4)10;;;/h1-2,8-10H,(H,11,12);;;/q;+2;2*-1.
What are the key properties of strontium;hydride;3,4,5-trihydroxybenzoic acid?
strontium;hydride;3,4,5-trihydroxybenzoic acid has a molecular weight of 259.76 g/mol, XLogP of 0.35, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for strontium;hydride;3,4,5-trihydroxybenzoic acid is sourced from PubChem (CID 173029021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).