CID 170997536

C4H8CuO5-2 — CID 170997536

IUPAC—
SMILESCC(=O)[O-].CC(=O)[O-].O.[Cu]
InChIInChI=1S/2C2H4O2.Cu.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/p-2
InChIKeyCBPFTNGCMIKBJQ-UHFFFAOYSA-L
MW199.65 g/mol
LogP-3.31
Rot. Bonds

About CID 170997536

CID 170997536 (PubChem CID 170997536) has the molecular formula C4H8CuO5-2 and a molecular weight of 199.65 g/mol.

Molecular Properties

Compound NameCID 170997536
PubChem CID170997536
Molecular FormulaC4H8CuO5-2
Molecular Weight199.65 g/mol
Exact Mass198.97
IUPAC Name—
SMILESCC(=O)[O-].CC(=O)[O-].O.[Cu]
InChIInChI=1S/2C2H4O2.Cu.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/p-2
InChIKeyCBPFTNGCMIKBJQ-UHFFFAOYSA-L
XLogP-3.31
TPSA111.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.65
LogP ≤ 5-3.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 170997536?
The IUPAC name of CID 170997536 (CID 170997536) is not available.
What is the SMILES notation for CID 170997536?
The canonical SMILES for CID 170997536 is CC(=O)[O-].CC(=O)[O-].O.[Cu].
What is the InChIKey of CID 170997536?
The InChIKey is CBPFTNGCMIKBJQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H4O2.Cu.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/p-2.
What are the key properties of CID 170997536?
CID 170997536 has a molecular weight of 199.65 g/mol, XLogP of -3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170997536 is sourced from PubChem (CID 170997536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).