CID 87205903

C3H10BO4 — CID 87205903

IUPAC—
SMILESCC(O)CO.O[B]O
InChIInChI=1S/C3H8O2.BH2O2/c1-3(5)2-4;2-1-3/h3-5H,2H2,1H3;2-3H
InChIKeyUIKUEDJWNGJWJS-UHFFFAOYSA-N
MW120.92 g/mol
LogP-2.14
Rot. Bonds1

About CID 87205903

CID 87205903 (PubChem CID 87205903) has the molecular formula C3H10BO4 and a molecular weight of 120.92 g/mol.

Molecular Properties

Compound NameCID 87205903
PubChem CID87205903
Molecular FormulaC3H10BO4
Molecular Weight120.92 g/mol
Exact Mass121.07
IUPAC Name—
SMILESCC(O)CO.O[B]O
InChIInChI=1S/C3H8O2.BH2O2/c1-3(5)2-4;2-1-3/h3-5H,2H2,1H3;2-3H
InChIKeyUIKUEDJWNGJWJS-UHFFFAOYSA-N
XLogP-2.14
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.92
LogP ≤ 5-2.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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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methanol;propane-1,2-diol;hydrochloride
CID 88632623
CID 158929584
CID 158929584
chloroform;propane-1,2-diol
CID 159626759
methoxymethane;propane-1,2-diol
CID 23435252
propane-1,2-diol;1,1,2,2-tetrafluoroethene
CID 174777178
ethane-1,2-diol;methane;propane-1,2-diol
CID 157128213
nitroxyl;propane-1,2-diol
CID 175455323
dimethylazanium;propane-1,2-diol;chloride
CID 158629461

Frequently Asked Questions

What is the IUPAC name of CID 87205903?
The IUPAC name of CID 87205903 (CID 87205903) is not available.
What is the SMILES notation for CID 87205903?
The canonical SMILES for CID 87205903 is CC(O)CO.O[B]O.
What is the InChIKey of CID 87205903?
The InChIKey is UIKUEDJWNGJWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.BH2O2/c1-3(5)2-4;2-1-3/h3-5H,2H2,1H3;2-3H.
What are the key properties of CID 87205903?
CID 87205903 has a molecular weight of 120.92 g/mol, XLogP of -2.14, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87205903 is sourced from PubChem (CID 87205903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).