calcium;2-ethenylbenzoic acid;hydride

C9H10CaO2 — CID 174462542

IUPACcalcium;2-ethenylbenzoic acid;hydride
SMILESC=Cc1ccccc1C(=O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/C9H8O2.Ca.2H/c1-2-7-5-3-4-6-8(7)9(10)11;;;/h2-6H,1H2,(H,10,11);;;/q;+2;2*-1
InChIKeyMFFXITIBLIRBPO-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.87
Rot. Bonds2

About calcium;2-ethenylbenzoic acid;hydride

calcium;2-ethenylbenzoic acid;hydride (PubChem CID 174462542) has the molecular formula C9H10CaO2 and a molecular weight of 190.25 g/mol. Its IUPAC name is calcium;2-ethenylbenzoic acid;hydride.

Molecular Properties

Compound Namecalcium;2-ethenylbenzoic acid;hydride
PubChem CID174462542
Molecular FormulaC9H10CaO2
Molecular Weight190.25 g/mol
Exact Mass190.03
IUPAC Namecalcium;2-ethenylbenzoic acid;hydride
SMILESC=Cc1ccccc1C(=O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/C9H8O2.Ca.2H/c1-2-7-5-3-4-6-8(7)9(10)11;;;/h2-6H,1H2,(H,10,11);;;/q;+2;2*-1
InChIKeyMFFXITIBLIRBPO-UHFFFAOYSA-N
XLogP1.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of calcium;2-ethenylbenzoic acid;hydride?
The IUPAC name of calcium;2-ethenylbenzoic acid;hydride (CID 174462542) is calcium;2-ethenylbenzoic acid;hydride.
What is the SMILES notation for calcium;2-ethenylbenzoic acid;hydride?
The canonical SMILES for calcium;2-ethenylbenzoic acid;hydride is C=Cc1ccccc1C(=O)O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;2-ethenylbenzoic acid;hydride?
The InChIKey is MFFXITIBLIRBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2.Ca.2H/c1-2-7-5-3-4-6-8(7)9(10)11;;;/h2-6H,1H2,(H,10,11);;;/q;+2;2*-1.
What are the key properties of calcium;2-ethenylbenzoic acid;hydride?
calcium;2-ethenylbenzoic acid;hydride has a molecular weight of 190.25 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;2-ethenylbenzoic acid;hydride is sourced from PubChem (CID 174462542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).