CID 158639936

C3H6Na2O3Ti — CID 158639936

IUPAC—
SMILESCC(O)C(=O)O.[Na].[Na].[Ti]
InChIInChI=1S/C3H6O3.2Na.Ti/c1-2(4)3(5)6;;;/h2,4H,1H3,(H,5,6);;;
InChIKeyMEJFVIBRAMPFNF-UHFFFAOYSA-N
MW183.92 g/mol
LogP-1.31
Rot. Bonds1

About CID 158639936

CID 158639936 (PubChem CID 158639936) has the molecular formula C3H6Na2O3Ti and a molecular weight of 183.92 g/mol.

Molecular Properties

Compound NameCID 158639936
PubChem CID158639936
Molecular FormulaC3H6Na2O3Ti
Molecular Weight183.92 g/mol
Exact Mass183.96
IUPAC Name—
SMILESCC(O)C(=O)O.[Na].[Na].[Ti]
InChIInChI=1S/C3H6O3.2Na.Ti/c1-2(4)3(5)6;;;/h2,4H,1H3,(H,5,6);;;
InChIKeyMEJFVIBRAMPFNF-UHFFFAOYSA-N
XLogP-1.31
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.92
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

bis(2-hydroxypropanoic acid);titanium
CID 173417954
CID 129137181
CID 129137181
2-hydroxypropanoic acid
CID 87075455
diazanium;2-hydroxypropanoic acid;titanium;dihydroxide
CID 175324651
CID 131877347
CID 131877347
calcium hexakis(2-hydroxypropanoic acid)
CID 162368187
2-hydroxypropanoic acid;mercury
CID 88512020
CID 123133976
CID 123133976
CID 11776805
CID 11776805
tetrakis(2-hydroxypropanoic acid);manganese
CID 167442579
2-hydroxypropanoic acid;tetrahydrate
CID 141343914
pentaheptacontacalcium;(2-hydroxypropanoic acid)
CID 173046474

Frequently Asked Questions

What is the IUPAC name of CID 158639936?
The IUPAC name of CID 158639936 (CID 158639936) is not available.
What is the SMILES notation for CID 158639936?
The canonical SMILES for CID 158639936 is CC(O)C(=O)O.[Na].[Na].[Ti].
What is the InChIKey of CID 158639936?
The InChIKey is MEJFVIBRAMPFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.2Na.Ti/c1-2(4)3(5)6;;;/h2,4H,1H3,(H,5,6);;;.
What are the key properties of CID 158639936?
CID 158639936 has a molecular weight of 183.92 g/mol, XLogP of -1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158639936 is sourced from PubChem (CID 158639936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).