hydroxymethanone

CHO2- — CID 54723866

IUPAChydroxymethanone
SMILESO=[C-]O
InChIInChI=1S/CHO2/c2-1-3/h(H,2,3)/q-1
InChIKeyNCTDTINGEVXOBH-UHFFFAOYSA-N
MW45.02 g/mol
LogP-0.39
Rot. Bonds

About hydroxymethanone

hydroxymethanone (PubChem CID 54723866) has the molecular formula CHO2- and a molecular weight of 45.02 g/mol. Its IUPAC name is hydroxymethanone.

Molecular Properties

Compound Namehydroxymethanone
PubChem CID54723866
Molecular FormulaCHO2-
Molecular Weight45.02 g/mol
Exact Mass45.00
IUPAC Namehydroxymethanone
SMILESO=[C-]O
InChIInChI=1S/CHO2/c2-1-3/h(H,2,3)/q-1
InChIKeyNCTDTINGEVXOBH-UHFFFAOYSA-N
XLogP-0.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50045.02
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hydroxymethanone;ruthenium(1+)
CID 87059132
hydroxymethanone;vanadium
CID 59094876
hydroxymethanone;ruthenium(4+)
CID 172995275
hydroxymethanone;tungsten
CID 141151866
erbium(3+);hydroxymethanone
CID 173220930
sodium;hydroxymethanone;phosphane
CID 159362533
hydroxymethanone;oxovanadium(2+)
CID 87184679
copper(1+);hydroxymethanone;methane
CID 174882093
bismuthane;hydroxymethanone;zinc
CID 174420136
silver;azane;hydroxymethanone
CID 166682246
disodium;hydroxymethanone;bis(iron(3+))
CID 173448481
hydroxymethanone;methylidenetungsten
CID 23525026

Frequently Asked Questions

What is the IUPAC name of hydroxymethanone?
The IUPAC name of hydroxymethanone (CID 54723866) is hydroxymethanone.
What is the SMILES notation for hydroxymethanone?
The canonical SMILES for hydroxymethanone is O=[C-]O.
What is the InChIKey of hydroxymethanone?
The InChIKey is NCTDTINGEVXOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/CHO2/c2-1-3/h(H,2,3)/q-1.
What are the key properties of hydroxymethanone?
hydroxymethanone has a molecular weight of 45.02 g/mol, XLogP of -0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethanone is sourced from PubChem (CID 54723866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).