CID 143927120

C8H8BO3 — CID 143927120

IUPAC—
SMILESCOC(=O)c1ccccc1[B]O
InChIInChI=1S/C8H8BO3/c1-12-8(10)6-4-2-3-5-7(6)9-11/h2-5,11H,1H3
InChIKeyLJYJVHWSHKOBIW-UHFFFAOYSA-N
MW162.96 g/mol
LogP-0.29
Rot. Bonds2

About CID 143927120

CID 143927120 (PubChem CID 143927120) has the molecular formula C8H8BO3 and a molecular weight of 162.96 g/mol.

Molecular Properties

Compound NameCID 143927120
PubChem CID143927120
Molecular FormulaC8H8BO3
Molecular Weight162.96 g/mol
Exact Mass163.06
IUPAC Name—
SMILESCOC(=O)c1ccccc1[B]O
InChIInChI=1S/C8H8BO3/c1-12-8(10)6-4-2-3-5-7(6)9-11/h2-5,11H,1H3
InChIKeyLJYJVHWSHKOBIW-UHFFFAOYSA-N
XLogP-0.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.96
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
lithium;hydride;methyl 2-hydroxybenzoate
CID 173284844
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756
methyl 2-phosphanylbenzoate
CID 156736008
methyl 2-hydroxybenzoate;urea
CID 174888687
ethane;methyl 2-methoxybenzoate
CID 178037044
ethane;methane;methyl 2-methylbenzoate
CID 168902289
methyl 2-sulfanylbenzoate;sulfuryl dichloride
CID 87177187
dimethyl 2-bromobenzene-1,3-dicarboxylate
CID 12699360
methyl 2-(methylamino)benzoate;hydrochloride
CID 141440626
bis(2-methoxycarbonylphenyl)methylsulfanium
CID 18471242

Frequently Asked Questions

What is the IUPAC name of CID 143927120?
The IUPAC name of CID 143927120 (CID 143927120) is not available.
What is the SMILES notation for CID 143927120?
The canonical SMILES for CID 143927120 is COC(=O)c1ccccc1[B]O.
What is the InChIKey of CID 143927120?
The InChIKey is LJYJVHWSHKOBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BO3/c1-12-8(10)6-4-2-3-5-7(6)9-11/h2-5,11H,1H3.
What are the key properties of CID 143927120?
CID 143927120 has a molecular weight of 162.96 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143927120 is sourced from PubChem (CID 143927120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).