CID 57307350

C4H4B2O3 — CID 57307350

IUPAC—
SMILES[B]CC(=O)OC(=O)C[B]
InChIInChI=1S/C4H4B2O3/c5-1-3(7)9-4(8)2-6/h1-2H2
InChIKeyHEBOWAHWXKQVPJ-UHFFFAOYSA-N
MW121.70 g/mol
LogP-0.77
Rot. Bonds2

About CID 57307350

CID 57307350 (PubChem CID 57307350) has the molecular formula C4H4B2O3 and a molecular weight of 121.70 g/mol.

Molecular Properties

Compound NameCID 57307350
PubChem CID57307350
Molecular FormulaC4H4B2O3
Molecular Weight121.70 g/mol
Exact Mass122.03
IUPAC Name—
SMILES[B]CC(=O)OC(=O)C[B]
InChIInChI=1S/C4H4B2O3/c5-1-3(7)9-4(8)2-6/h1-2H2
InChIKeyHEBOWAHWXKQVPJ-UHFFFAOYSA-N
XLogP-0.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.70
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 57023561
CID 57023561
propanoyl (113C)propanoate
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dipropanoyl butanedioate
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(2-chloroacetyl) 2-chloroacetate
CID 10946
[methyl(propanoyloxy)amino] propanoate
CID 90871016
ethyl propanoate;titanium(4+);tetrachloride
CID 173205872
disodium;4-[4-(3-carboxypropanoyloxy)-4-oxobutanoyl]oxy-4-oxobutanoic acid;hydride
CID 174571865
bis(6-[6-(5-carboxypentanoyloxy)-6-oxohexanoyl]oxy-6-oxohexanoic acid);hexanedioic acid
CID 135365156
ethyl propanoate;tin(2+);dichloride
CID 171374953
8-(5-carboxypentanoyloxy)-8-oxooctanoic acid
CID 175284815
8-[8-(7-carboxyheptanoyloxy)-8-oxooctanoyl]oxy-8-oxooctanoic acid
CID 87223442
30-[28-(29-carboxynonacosanoyloxy)-28-oxooctacosanoyl]oxy-30-oxotriacontanoic acid
CID 57255459

Frequently Asked Questions

What is the IUPAC name of CID 57307350?
The IUPAC name of CID 57307350 (CID 57307350) is not available.
What is the SMILES notation for CID 57307350?
The canonical SMILES for CID 57307350 is [B]CC(=O)OC(=O)C[B].
What is the InChIKey of CID 57307350?
The InChIKey is HEBOWAHWXKQVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4B2O3/c5-1-3(7)9-4(8)2-6/h1-2H2.
What are the key properties of CID 57307350?
CID 57307350 has a molecular weight of 121.70 g/mol, XLogP of -0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57307350 is sourced from PubChem (CID 57307350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).