CID 131857540

C3H8NaO — CID 131857540

IUPAC—
SMILESCC(C)O.[Na]
InChIInChI=1S/C3H8O.Na/c1-3(2)4;/h3-4H,1-2H3;
InChIKeyAGZVMFHCESVRRI-UHFFFAOYSA-N
MW83.09 g/mol
LogP0.01
Rot. Bonds

About CID 131857540

CID 131857540 (PubChem CID 131857540) has the molecular formula C3H8NaO and a molecular weight of 83.09 g/mol.

Molecular Properties

Compound NameCID 131857540
PubChem CID131857540
Molecular FormulaC3H8NaO
Molecular Weight83.09 g/mol
Exact Mass83.05
IUPAC Name—
SMILESCC(C)O.[Na]
InChIInChI=1S/C3H8O.Na/c1-3(2)4;/h3-4H,1-2H3;
InChIKeyAGZVMFHCESVRRI-UHFFFAOYSA-N
XLogP0.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.09
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 131857540?
The IUPAC name of CID 131857540 (CID 131857540) is not available.
What is the SMILES notation for CID 131857540?
The canonical SMILES for CID 131857540 is CC(C)O.[Na].
What is the InChIKey of CID 131857540?
The InChIKey is AGZVMFHCESVRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.Na/c1-3(2)4;/h3-4H,1-2H3;.
What are the key properties of CID 131857540?
CID 131857540 has a molecular weight of 83.09 g/mol, XLogP of 0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131857540 is sourced from PubChem (CID 131857540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).