CID 174529338

CHGaO — CID 174529338

IUPAC—
SMILESO=C[Ga]
InChIInChI=1S/CHO.Ga/c1-2;/h1H;
InChIKeySWYCHOOUIQNBLZ-UHFFFAOYSA-N
MW98.74 g/mol
LogP-0.65
Rot. Bonds

About CID 174529338

CID 174529338 (PubChem CID 174529338) has the molecular formula CHGaO and a molecular weight of 98.74 g/mol.

Molecular Properties

Compound NameCID 174529338
PubChem CID174529338
Molecular FormulaCHGaO
Molecular Weight98.74 g/mol
Exact Mass97.93
IUPAC Name—
SMILESO=C[Ga]
InChIInChI=1S/CHO.Ga/c1-2;/h1H;
InChIKeySWYCHOOUIQNBLZ-UHFFFAOYSA-N
XLogP-0.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.74
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174529338?
The IUPAC name of CID 174529338 (CID 174529338) is not available.
What is the SMILES notation for CID 174529338?
The canonical SMILES for CID 174529338 is O=C[Ga].
What is the InChIKey of CID 174529338?
The InChIKey is SWYCHOOUIQNBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/CHO.Ga/c1-2;/h1H;.
What are the key properties of CID 174529338?
CID 174529338 has a molecular weight of 98.74 g/mol, XLogP of -0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174529338 is sourced from PubChem (CID 174529338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).