EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Salt-form
UNII	LVH4XE8KAE

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Salt-form

UNII

LVH4XE8KAE


InChI Key	QYPYUAWNRNUADX-UHFFFAOYSA-L
Smiles	[Ba+2].[O-]C(=O)CCCCCCCCC(=O)[O-]
InChI	InChI=1/C10H18O4.Ba/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;/h1-8H2,(H,11,12)(H,13,14);/q;+2/p-2

InChI Key

QYPYUAWNRNUADX-UHFFFAOYSA-L

Smiles

[Ba+2].[O-]C(=O)CCCCCCCCC(=O)[O-]

InChI

InChI=1/C10H18O4.Ba/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;/h1-8H2,(H,11,12)(H,13,14);/q;+2/p-2

Property Name	Value
Molecular Formula	C10H18O4.Ba
Molecular Weight	338.01
AlogP	-0.77
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	9.0
Polar Surface Area	80.26
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C10H18O4.Ba

Molecular Weight

338.01

AlogP

-0.77

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

9.0

Polar Surface Area

80.26

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	19856-32-7
NORMAN SUSDAT
FDA SRS	LVH4XE8KAE

Resources

Reference

CAS NUMBER

19856-32-7

NORMAN SUSDAT

FDA SRS

LVH4XE8KAE


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).

BARIUM SEBACATE

Structure

Physicochemical Descriptors

Cross References