barium(2+);hydride;2-hydroxy-2-phenylacetic acid

C8H10BaO3 — CID 172999796

IUPACbarium(2+);hydride;2-hydroxy-2-phenylacetic acid
SMILESO=C(O)C(O)c1ccccc1.[Ba+2].[H-].[H-]
InChIInChI=1S/C8H8O3.Ba.2H/c9-7(8(10)11)6-4-2-1-3-5-6;;;/h1-5,7,9H,(H,10,11);;;/q;+2;2*-1
InChIKeyLPGTXRHEKRTSDE-UHFFFAOYSA-N
MW291.49 g/mol
LogP0.65
Rot. Bonds2

About barium(2+);hydride;2-hydroxy-2-phenylacetic acid

barium(2+);hydride;2-hydroxy-2-phenylacetic acid (PubChem CID 172999796) has the molecular formula C8H10BaO3 and a molecular weight of 291.49 g/mol. Its IUPAC name is barium(2+);hydride;2-hydroxy-2-phenylacetic acid.

Molecular Properties

Compound Namebarium(2+);hydride;2-hydroxy-2-phenylacetic acid
PubChem CID172999796
Molecular FormulaC8H10BaO3
Molecular Weight291.49 g/mol
Exact Mass291.97
IUPAC Namebarium(2+);hydride;2-hydroxy-2-phenylacetic acid
SMILESO=C(O)C(O)c1ccccc1.[Ba+2].[H-].[H-]
InChIInChI=1S/C8H8O3.Ba.2H/c9-7(8(10)11)6-4-2-1-3-5-6;;;/h1-5,7,9H,(H,10,11);;;/q;+2;2*-1
InChIKeyLPGTXRHEKRTSDE-UHFFFAOYSA-N
XLogP0.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.49
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

magnesium;hydride;2-hydroxy-2-phenylacetic acid
CID 173047691
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
calcium;magnesium;hydride;(2R)-2-hydroxy-2-phenylacetic acid
CID 174709694
(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 69001631
(2R)-2-hydroxy-2-phenylacetic acid;rhodium
CID 174857137
azane;2-hydroxy-2-phenylacetic acid
CID 23617102
(2S)-2-hydroxy-2-phenylacetic acid;hydrate
CID 139987845
(2S)-2-hydroxy-2-phenylacetic acid;hydrochloride
CID 141322731
(2R)-2-hydroxy-2-phenylacetic acid;zinc
CID 57473641
azane;(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 70117102
acetic acid;2-hydroxy-2-phenylacetic acid
CID 67499056

Frequently Asked Questions

What is the IUPAC name of barium(2+);hydride;2-hydroxy-2-phenylacetic acid?
The IUPAC name of barium(2+);hydride;2-hydroxy-2-phenylacetic acid (CID 172999796) is barium(2+);hydride;2-hydroxy-2-phenylacetic acid.
What is the SMILES notation for barium(2+);hydride;2-hydroxy-2-phenylacetic acid?
The canonical SMILES for barium(2+);hydride;2-hydroxy-2-phenylacetic acid is O=C(O)C(O)c1ccccc1.[Ba+2].[H-].[H-].
What is the InChIKey of barium(2+);hydride;2-hydroxy-2-phenylacetic acid?
The InChIKey is LPGTXRHEKRTSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.Ba.2H/c9-7(8(10)11)6-4-2-1-3-5-6;;;/h1-5,7,9H,(H,10,11);;;/q;+2;2*-1.
What are the key properties of barium(2+);hydride;2-hydroxy-2-phenylacetic acid?
barium(2+);hydride;2-hydroxy-2-phenylacetic acid has a molecular weight of 291.49 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);hydride;2-hydroxy-2-phenylacetic acid is sourced from PubChem (CID 172999796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).