EcoDrugPlus


Keyword(s):	Plastic additives ; Food Contact Chemicals
Molecule Category	Free-form
UNII	NZO8Q0FP2E
EPA CompTox	DTXSID4051661

Keyword(s):

Plastic additives ; Food Contact Chemicals

Molecule Category

Free-form

UNII

NZO8Q0FP2E

EPA CompTox

DTXSID4051661


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	FAHBNUUHRFUEAI-UHFFFAOYSA-M
Smiles	O[Al]=O
InChI	InChI=1S/Al.H2O.O/h;1H2;/q+1;;/p-1

InChI Key

FAHBNUUHRFUEAI-UHFFFAOYSA-M

Smiles

O[Al]=O

InChI

InChI=1S/Al.H2O.O/h;1H2;/q+1;;/p-1

Property Name	Value
Molecular Formula	AlHO2
Molecular Weight	59.98
AlogP	-0.68
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	0.0
Polar Surface Area	58.5
Molecular species	None
Aromatic Rings	0.0
Heavy Atoms	3.0

Property Name

Value

Molecular Formula

AlHO2

Molecular Weight

59.98

AlogP

-0.68

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

0.0

Number of Rotational Bond

0.0

Polar Surface Area

58.5

Molecular species

None

Aromatic Rings

0.0

Heavy Atoms

3.0

Resources	Reference
CAS NUMBER	1318-23-6
NORMAN SUSDAT
FDA SRS	NZO8Q0FP2E

Resources

Reference

CAS NUMBER

1318-23-6

NORMAN SUSDAT

FDA SRS

NZO8Q0FP2E


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

BOEHMITE (AL(OH)O)

Structure

Physicochemical Descriptors

Cross References