oxoalumane;trihydrate

H7AlO4 — CID 22794332

IUPACoxoalumane;trihydrate
SMILESO.O.O.O=[AlH]
InChIInChI=1S/Al.3H2O.O.H/h;3*1H2;;
InChIKeyFBJADJZBQGRWSM-UHFFFAOYSA-N
MW98.03 g/mol
LogP-3.24
Rot. Bonds

About oxoalumane;trihydrate

oxoalumane;trihydrate (PubChem CID 22794332) has the molecular formula H7AlO4 and a molecular weight of 98.03 g/mol. Its IUPAC name is oxoalumane;trihydrate.

Molecular Properties

Compound Nameoxoalumane;trihydrate
PubChem CID22794332
Molecular FormulaH7AlO4
Molecular Weight98.03 g/mol
Exact Mass98.02
IUPAC Nameoxoalumane;trihydrate
SMILESO.O.O.O=[AlH]
InChIInChI=1S/Al.3H2O.O.H/h;3*1H2;;
InChIKeyFBJADJZBQGRWSM-UHFFFAOYSA-N
XLogP-3.24
TPSA111.57 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.03
LogP ≤ 5-3.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 173009216
oxoalumane;oxotitanium
CID 175382296
alumane;gallane;oxoalumane
CID 174619405
oxoalumane;phosphane;vanadium
CID 174730871
alumane;oxoalumane;phosphane
CID 174677459
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CID 174740757
calcium;oxoalumane;titanium;difluoride
CID 174834379
hafnium;oxoalumane;oxotantalum
CID 175553503
gallane;indigane;oxoalumane;ruthenium
CID 175478990

Frequently Asked Questions

What is the IUPAC name of oxoalumane;trihydrate?
The IUPAC name of oxoalumane;trihydrate (CID 22794332) is oxoalumane;trihydrate.
What is the SMILES notation for oxoalumane;trihydrate?
The canonical SMILES for oxoalumane;trihydrate is O.O.O.O=[AlH].
What is the InChIKey of oxoalumane;trihydrate?
The InChIKey is FBJADJZBQGRWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.3H2O.O.H/h;3*1H2;;.
What are the key properties of oxoalumane;trihydrate?
oxoalumane;trihydrate has a molecular weight of 98.03 g/mol, XLogP of -3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxoalumane;trihydrate is sourced from PubChem (CID 22794332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).