CID 58960769

C4H6O3 — CID 58960769

IUPAC—
SMILESCO[CH]C(=O)[CH]O
InChIInChI=1S/C4H6O3/c1-7-3-4(6)2-5/h2-3,5H,1H3
InChIKeyQFJWGQHBTMCRFV-UHFFFAOYSA-N
MW102.09 g/mol
LogP-0.10
Rot. Bonds3

About CID 58960769

CID 58960769 (PubChem CID 58960769) has the molecular formula C4H6O3 and a molecular weight of 102.09 g/mol.

Molecular Properties

Compound NameCID 58960769
PubChem CID58960769
Molecular FormulaC4H6O3
Molecular Weight102.09 g/mol
Exact Mass102.03
IUPAC Name—
SMILESCO[CH]C(=O)[CH]O
InChIInChI=1S/C4H6O3/c1-7-3-4(6)2-5/h2-3,5H,1H3
InChIKeyQFJWGQHBTMCRFV-UHFFFAOYSA-N
XLogP-0.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58960769?
The IUPAC name of CID 58960769 (CID 58960769) is not available.
What is the SMILES notation for CID 58960769?
The canonical SMILES for CID 58960769 is CO[CH]C(=O)[CH]O.
What is the InChIKey of CID 58960769?
The InChIKey is QFJWGQHBTMCRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3/c1-7-3-4(6)2-5/h2-3,5H,1H3.
What are the key properties of CID 58960769?
CID 58960769 has a molecular weight of 102.09 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58960769 is sourced from PubChem (CID 58960769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).