calcium;hydride;2-phenylacetic acid

C8H10CaO2 — CID 173132712

IUPACcalcium;hydride;2-phenylacetic acid
SMILESO=C(O)Cc1ccccc1.[Ca+2].[H-].[H-]
InChIInChI=1S/C8H8O2.Ca.2H/c9-8(10)6-7-4-2-1-3-5-7;;;/h1-5H,6H2,(H,9,10);;;/q;+2;2*-1
InChIKeyVWZMLBYBZBEREL-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.16
Rot. Bonds2

About calcium;hydride;2-phenylacetic acid

calcium;hydride;2-phenylacetic acid (PubChem CID 173132712) has the molecular formula C8H10CaO2 and a molecular weight of 178.24 g/mol. Its IUPAC name is calcium;hydride;2-phenylacetic acid.

Molecular Properties

Compound Namecalcium;hydride;2-phenylacetic acid
PubChem CID173132712
Molecular FormulaC8H10CaO2
Molecular Weight178.24 g/mol
Exact Mass178.03
IUPAC Namecalcium;hydride;2-phenylacetic acid
SMILESO=C(O)Cc1ccccc1.[Ca+2].[H-].[H-]
InChIInChI=1S/C8H8O2.Ca.2H/c9-8(10)6-7-4-2-1-3-5-7;;;/h1-5H,6H2,(H,9,10);;;/q;+2;2*-1
InChIKeyVWZMLBYBZBEREL-UHFFFAOYSA-N
XLogP1.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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formaldehyde;2-phenylacetic acid
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CID 159349511
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CID 174946649
chloro hypochlorite;2-phenylacetic acid
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3-oxobutanoic acid;2-phenylacetic acid
CID 91330939
N-ethylethanamine;2-phenylacetic acid
CID 143630479
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Frequently Asked Questions

What is the IUPAC name of calcium;hydride;2-phenylacetic acid?
The IUPAC name of calcium;hydride;2-phenylacetic acid (CID 173132712) is calcium;hydride;2-phenylacetic acid.
What is the SMILES notation for calcium;hydride;2-phenylacetic acid?
The canonical SMILES for calcium;hydride;2-phenylacetic acid is O=C(O)Cc1ccccc1.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;2-phenylacetic acid?
The InChIKey is VWZMLBYBZBEREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.Ca.2H/c9-8(10)6-7-4-2-1-3-5-7;;;/h1-5H,6H2,(H,9,10);;;/q;+2;2*-1.
What are the key properties of calcium;hydride;2-phenylacetic acid?
calcium;hydride;2-phenylacetic acid has a molecular weight of 178.24 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;2-phenylacetic acid is sourced from PubChem (CID 173132712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).