CID 59483073

C5H7BO3 — CID 59483073

IUPAC—
SMILES[B][C@@H]1OC(=C)[C@@H](O)[C@H]1O
InChIInChI=1S/C5H7BO3/c1-2-3(7)4(8)5(6)9-2/h3-5,7-8H,1H2/t3-,4-,5-/m1/s1
InChIKeyFVVOFLJGBPJFFG-UOWFLXDJSA-N
MW125.92 g/mol
LogP-1.25
Rot. Bonds

About CID 59483073

CID 59483073 (PubChem CID 59483073) has the molecular formula C5H7BO3 and a molecular weight of 125.92 g/mol.

Molecular Properties

Compound NameCID 59483073
PubChem CID59483073
Molecular FormulaC5H7BO3
Molecular Weight125.92 g/mol
Exact Mass126.05
IUPAC Name—
SMILES[B][C@@H]1OC(=C)[C@@H](O)[C@H]1O
InChIInChI=1S/C5H7BO3/c1-2-3(7)4(8)5(6)9-2/h3-5,7-8H,1H2/t3-,4-,5-/m1/s1
InChIKeyFVVOFLJGBPJFFG-UOWFLXDJSA-N
XLogP-1.25
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.92
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59483073?
The IUPAC name of CID 59483073 (CID 59483073) is not available.
What is the SMILES notation for CID 59483073?
The canonical SMILES for CID 59483073 is [B][C@@H]1OC(=C)[C@@H](O)[C@H]1O.
What is the InChIKey of CID 59483073?
The InChIKey is FVVOFLJGBPJFFG-UOWFLXDJSA-N. The full InChI is InChI=1S/C5H7BO3/c1-2-3(7)4(8)5(6)9-2/h3-5,7-8H,1H2/t3-,4-,5-/m1/s1.
What are the key properties of CID 59483073?
CID 59483073 has a molecular weight of 125.92 g/mol, XLogP of -1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59483073 is sourced from PubChem (CID 59483073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).