CID 172764488

C5H6NaO4 — CID 172764488

IUPAC—
SMILESCC1OC(=O)C(O)=C1O.[Na]
InChIInChI=1S/C5H6O4.Na/c1-2-3(6)4(7)5(8)9-2;/h2,6-7H,1H3;
InChIKeyMCZLFEOGFYNRPJ-UHFFFAOYSA-N
MW153.09 g/mol
LogP-0.12
Rot. Bonds

About CID 172764488

CID 172764488 (PubChem CID 172764488) has the molecular formula C5H6NaO4 and a molecular weight of 153.09 g/mol.

Molecular Properties

Compound NameCID 172764488
PubChem CID172764488
Molecular FormulaC5H6NaO4
Molecular Weight153.09 g/mol
Exact Mass153.02
IUPAC Name—
SMILESCC1OC(=O)C(O)=C1O.[Na]
InChIInChI=1S/C5H6O4.Na/c1-2-3(6)4(7)5(8)9-2;/h2,6-7H,1H3;
InChIKeyMCZLFEOGFYNRPJ-UHFFFAOYSA-N
XLogP-0.12
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.09
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 172764488?
The IUPAC name of CID 172764488 (CID 172764488) is not available.
What is the SMILES notation for CID 172764488?
The canonical SMILES for CID 172764488 is CC1OC(=O)C(O)=C1O.[Na].
What is the InChIKey of CID 172764488?
The InChIKey is MCZLFEOGFYNRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4.Na/c1-2-3(6)4(7)5(8)9-2;/h2,6-7H,1H3;.
What are the key properties of CID 172764488?
CID 172764488 has a molecular weight of 153.09 g/mol, XLogP of -0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172764488 is sourced from PubChem (CID 172764488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).