barium(2+);carbonic acid;hydroxymethanone

C3H4BaO7 — CID 173229529

IUPACbarium(2+);carbonic acid;hydroxymethanone
SMILESO=C(O)O.O=[C-]O.O=[C-]O.[Ba+2]
InChIInChI=1S/CH2O3.2CHO2.Ba/c2-1(3)4;2*2-1-3;/h(H2,2,3,4);2*(H,2,3);/q;2*-1;+2
InChIKeySNLGRTNQAKXGQN-UHFFFAOYSA-N
MW289.39 g/mol
LogP-0.94
Rot. Bonds

About barium(2+);carbonic acid;hydroxymethanone

barium(2+);carbonic acid;hydroxymethanone (PubChem CID 173229529) has the molecular formula C3H4BaO7 and a molecular weight of 289.39 g/mol. Its IUPAC name is barium(2+);carbonic acid;hydroxymethanone.

Molecular Properties

Compound Namebarium(2+);carbonic acid;hydroxymethanone
PubChem CID173229529
Molecular FormulaC3H4BaO7
Molecular Weight289.39 g/mol
Exact Mass289.90
IUPAC Namebarium(2+);carbonic acid;hydroxymethanone
SMILESO=C(O)O.O=[C-]O.O=[C-]O.[Ba+2]
InChIInChI=1S/CH2O3.2CHO2.Ba/c2-1(3)4;2*2-1-3;/h(H2,2,3,4);2*(H,2,3);/q;2*-1;+2
InChIKeySNLGRTNQAKXGQN-UHFFFAOYSA-N
XLogP-0.94
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydroxymethanone
CID 54723866
erbium(3+);hydroxymethanone
CID 173220930
hydroxymethanone;ruthenium(1+)
CID 87059132
hydroxymethanone;vanadium
CID 59094876
hydroxymethanone;ruthenium(4+)
CID 172995275
hydroxymethanone;tungsten
CID 141151866
sodium;hydroxymethanone;phosphane
CID 159362533
hydroxymethanone;oxovanadium(2+)
CID 87184679
bismuthane;hydroxymethanone;zinc
CID 174420136
copper(1+);hydroxymethanone;methane
CID 174882093
strontium;barium(2+);carbonic acid;hydride
CID 173330589
silver;azane;hydroxymethanone
CID 166682246

Frequently Asked Questions

What is the IUPAC name of barium(2+);carbonic acid;hydroxymethanone?
The IUPAC name of barium(2+);carbonic acid;hydroxymethanone (CID 173229529) is barium(2+);carbonic acid;hydroxymethanone.
What is the SMILES notation for barium(2+);carbonic acid;hydroxymethanone?
The canonical SMILES for barium(2+);carbonic acid;hydroxymethanone is O=C(O)O.O=[C-]O.O=[C-]O.[Ba+2].
What is the InChIKey of barium(2+);carbonic acid;hydroxymethanone?
The InChIKey is SNLGRTNQAKXGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O3.2CHO2.Ba/c2-1(3)4;2*2-1-3;/h(H2,2,3,4);2*(H,2,3);/q;2*-1;+2.
What are the key properties of barium(2+);carbonic acid;hydroxymethanone?
barium(2+);carbonic acid;hydroxymethanone has a molecular weight of 289.39 g/mol, XLogP of -0.94, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);carbonic acid;hydroxymethanone is sourced from PubChem (CID 173229529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).