CID 13218054

C3H5O2 — CID 13218054

IUPAC—
SMILES[CH]1COCO1
InChIInChI=1S/C3H5O2/c1-2-5-3-4-1/h1H,2-3H2
InChIKeyGQVMCULVYLQTCB-UHFFFAOYSA-N
MW73.07 g/mol
LogP0.15
Rot. Bonds

About CID 13218054

CID 13218054 (PubChem CID 13218054) has the molecular formula C3H5O2 and a molecular weight of 73.07 g/mol.

Molecular Properties

Compound NameCID 13218054
PubChem CID13218054
Molecular FormulaC3H5O2
Molecular Weight73.07 g/mol
Exact Mass73.03
IUPAC Name—
SMILES[CH]1COCO1
InChIInChI=1S/C3H5O2/c1-2-5-3-4-1/h1H,2-3H2
InChIKeyGQVMCULVYLQTCB-UHFFFAOYSA-N
XLogP0.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.07
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 13218054?
The IUPAC name of CID 13218054 (CID 13218054) is not available.
What is the SMILES notation for CID 13218054?
The canonical SMILES for CID 13218054 is [CH]1COCO1.
What is the InChIKey of CID 13218054?
The InChIKey is GQVMCULVYLQTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5O2/c1-2-5-3-4-1/h1H,2-3H2.
What are the key properties of CID 13218054?
CID 13218054 has a molecular weight of 73.07 g/mol, XLogP of 0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 13218054 is sourced from PubChem (CID 13218054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).