azane;oxalic acid;oxotitanium;hydrate

C4H9NO10Ti — CID 45051728

IUPACazane;oxalic acid;oxotitanium;hydrate
SMILESN.O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=[Ti]
InChIInChI=1S/2C2H2O4.H3N.H2O.O.Ti/c2*3-1(4)2(5)6;;;;/h2*(H,3,4)(H,5,6);1H3;1H2;;
InChIKeyGFCUQCVJECIDGM-UHFFFAOYSA-N
MW278.98 g/mol
LogP-2.47
Rot. Bonds

About azane;oxalic acid;oxotitanium;hydrate

azane;oxalic acid;oxotitanium;hydrate (PubChem CID 45051728) has the molecular formula C4H9NO10Ti and a molecular weight of 278.98 g/mol. Its IUPAC name is azane;oxalic acid;oxotitanium;hydrate.

Molecular Properties

Compound Nameazane;oxalic acid;oxotitanium;hydrate
PubChem CID45051728
Molecular FormulaC4H9NO10Ti
Molecular Weight278.98 g/mol
Exact Mass278.97
IUPAC Nameazane;oxalic acid;oxotitanium;hydrate
SMILESN.O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=[Ti]
InChIInChI=1S/2C2H2O4.H3N.H2O.O.Ti/c2*3-1(4)2(5)6;;;;/h2*(H,3,4)(H,5,6);1H3;1H2;;
InChIKeyGFCUQCVJECIDGM-UHFFFAOYSA-N
XLogP-2.47
TPSA232.77 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.98
LogP ≤ 5-2.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;oxalic acid;oxotitanium;hydrate?
The IUPAC name of azane;oxalic acid;oxotitanium;hydrate (CID 45051728) is azane;oxalic acid;oxotitanium;hydrate.
What is the SMILES notation for azane;oxalic acid;oxotitanium;hydrate?
The canonical SMILES for azane;oxalic acid;oxotitanium;hydrate is N.O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=[Ti].
What is the InChIKey of azane;oxalic acid;oxotitanium;hydrate?
The InChIKey is GFCUQCVJECIDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H2O4.H3N.H2O.O.Ti/c2*3-1(4)2(5)6;;;;/h2*(H,3,4)(H,5,6);1H3;1H2;;.
What are the key properties of azane;oxalic acid;oxotitanium;hydrate?
azane;oxalic acid;oxotitanium;hydrate has a molecular weight of 278.98 g/mol, XLogP of -2.47, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;oxalic acid;oxotitanium;hydrate is sourced from PubChem (CID 45051728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).