CID 160650971

C3H8Na2O2 — CID 160650971

IUPAC—
SMILESCC(O)CO.[Na].[Na]
InChIInChI=1S/C3H8O2.2Na/c1-3(5)2-4;;/h3-5H,2H2,1H3;;
InChIKeyRKKIJQJEGPBVDP-UHFFFAOYSA-N
MW122.07 g/mol
LogP-1.40
Rot. Bonds1

About CID 160650971

CID 160650971 (PubChem CID 160650971) has the molecular formula C3H8Na2O2 and a molecular weight of 122.07 g/mol.

Molecular Properties

Compound NameCID 160650971
PubChem CID160650971
Molecular FormulaC3H8Na2O2
Molecular Weight122.07 g/mol
Exact Mass122.03
IUPAC Name—
SMILESCC(O)CO.[Na].[Na]
InChIInChI=1S/C3H8O2.2Na/c1-3(5)2-4;;/h3-5H,2H2,1H3;;
InChIKeyRKKIJQJEGPBVDP-UHFFFAOYSA-N
XLogP-1.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.07
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 158929584
propane-1,2-diol
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propane-1,2-diol;silver
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propane-1,2-diol;trihydrochloride;dihydrofluoride
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methoxymethane;propane-1,2-diol
CID 23435252
propane-1,2-diol;1,1,2,2-tetrafluoroethene
CID 174777178
chloroform;propane-1,2-diol
CID 159626759
ethane-1,2-diol;methane;propane-1,2-diol
CID 157128213
nitroxyl;propane-1,2-diol
CID 175455323
CID 87205903
CID 87205903
ethane-1,2-diamine;tetrakis(propane-1,2-diol)
CID 19100522

Frequently Asked Questions

What is the IUPAC name of CID 160650971?
The IUPAC name of CID 160650971 (CID 160650971) is not available.
What is the SMILES notation for CID 160650971?
The canonical SMILES for CID 160650971 is CC(O)CO.[Na].[Na].
What is the InChIKey of CID 160650971?
The InChIKey is RKKIJQJEGPBVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.2Na/c1-3(5)2-4;;/h3-5H,2H2,1H3;;.
What are the key properties of CID 160650971?
CID 160650971 has a molecular weight of 122.07 g/mol, XLogP of -1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160650971 is sourced from PubChem (CID 160650971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).