calcium;hydride;2-hydroxypropanoic acid;dihydrate

C3H12CaO5 — CID 173144735

IUPACcalcium;hydride;2-hydroxypropanoic acid;dihydrate
SMILESCC(O)C(=O)O.O.O.[Ca+2].[H-].[H-]
InChIInChI=1S/C3H6O3.Ca.2H2O.2H/c1-2(4)3(5)6;;;;;/h2,4H,1H3,(H,5,6);;2*1H2;;/q;+2;;;2*-1
InChIKeyILWLDTZMTRQRKI-UHFFFAOYSA-N
MW168.20 g/mol
LogP-2.35
Rot. Bonds1

About calcium;hydride;2-hydroxypropanoic acid;dihydrate

calcium;hydride;2-hydroxypropanoic acid;dihydrate (PubChem CID 173144735) has the molecular formula C3H12CaO5 and a molecular weight of 168.20 g/mol. Its IUPAC name is calcium;hydride;2-hydroxypropanoic acid;dihydrate.

Molecular Properties

Compound Namecalcium;hydride;2-hydroxypropanoic acid;dihydrate
PubChem CID173144735
Molecular FormulaC3H12CaO5
Molecular Weight168.20 g/mol
Exact Mass168.03
IUPAC Namecalcium;hydride;2-hydroxypropanoic acid;dihydrate
SMILESCC(O)C(=O)O.O.O.[Ca+2].[H-].[H-]
InChIInChI=1S/C3H6O3.Ca.2H2O.2H/c1-2(4)3(5)6;;;;;/h2,4H,1H3,(H,5,6);;2*1H2;;/q;+2;;;2*-1
InChIKeyILWLDTZMTRQRKI-UHFFFAOYSA-N
XLogP-2.35
TPSA120.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-2.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of calcium;hydride;2-hydroxypropanoic acid;dihydrate?
The IUPAC name of calcium;hydride;2-hydroxypropanoic acid;dihydrate (CID 173144735) is calcium;hydride;2-hydroxypropanoic acid;dihydrate.
What is the SMILES notation for calcium;hydride;2-hydroxypropanoic acid;dihydrate?
The canonical SMILES for calcium;hydride;2-hydroxypropanoic acid;dihydrate is CC(O)C(=O)O.O.O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;2-hydroxypropanoic acid;dihydrate?
The InChIKey is ILWLDTZMTRQRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.Ca.2H2O.2H/c1-2(4)3(5)6;;;;;/h2,4H,1H3,(H,5,6);;2*1H2;;/q;+2;;;2*-1.
What are the key properties of calcium;hydride;2-hydroxypropanoic acid;dihydrate?
calcium;hydride;2-hydroxypropanoic acid;dihydrate has a molecular weight of 168.20 g/mol, XLogP of -2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;2-hydroxypropanoic acid;dihydrate is sourced from PubChem (CID 173144735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).