CID 160843248

C3H8Ca2O3 — CID 160843248

IUPAC—
SMILESOCC(O)CO.[Ca].[Ca]
InChIInChI=1S/C3H8O3.2Ca/c4-1-3(6)2-5;;/h3-6H,1-2H2;;
InChIKeySIHQFTSCYPDCEV-UHFFFAOYSA-N
MW172.25 g/mol
LogP-2.43
Rot. Bonds2

About CID 160843248

CID 160843248 (PubChem CID 160843248) has the molecular formula C3H8Ca2O3 and a molecular weight of 172.25 g/mol.

Molecular Properties

Compound NameCID 160843248
PubChem CID160843248
Molecular FormulaC3H8Ca2O3
Molecular Weight172.25 g/mol
Exact Mass171.97
IUPAC Name—
SMILESOCC(O)CO.[Ca].[Ca]
InChIInChI=1S/C3H8O3.2Ca/c4-1-3(6)2-5;;/h3-6H,1-2H2;;
InChIKeySIHQFTSCYPDCEV-UHFFFAOYSA-N
XLogP-2.43
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 5-2.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 160843248?
The IUPAC name of CID 160843248 (CID 160843248) is not available.
What is the SMILES notation for CID 160843248?
The canonical SMILES for CID 160843248 is OCC(O)CO.[Ca].[Ca].
What is the InChIKey of CID 160843248?
The InChIKey is SIHQFTSCYPDCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3.2Ca/c4-1-3(6)2-5;;/h3-6H,1-2H2;;.
What are the key properties of CID 160843248?
CID 160843248 has a molecular weight of 172.25 g/mol, XLogP of -2.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160843248 is sourced from PubChem (CID 160843248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).