EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Salt-form
UNII	R9Z042Z19E
EPA CompTox	DTXSID4044957

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Salt-form

UNII

R9Z042Z19E

EPA CompTox

DTXSID4044957


InChI Key	LDJNSLOKTFFLSL-UHFFFAOYSA-M
Smiles	[Li+].[O-]C(=O)c1ccccc1
InChI	InChI=1/C7H6O2.Li/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1

InChI Key

LDJNSLOKTFFLSL-UHFFFAOYSA-M

Smiles

[Li+].[O-]C(=O)c1ccccc1

InChI

InChI=1/C7H6O2.Li/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1

Property Name	Value
Molecular Formula	C7H6O2.Li
Molecular Weight	128.04
AlogP	-2.95
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	40.13
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C7H6O2.Li

Molecular Weight

128.04

AlogP

-2.95

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

40.13

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	553-54-8
NORMAN SUSDAT
FDA SRS	R9Z042Z19E

Resources

Reference

CAS NUMBER

553-54-8

NORMAN SUSDAT

FDA SRS

R9Z042Z19E

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

LITHIUM BENZOATE

Structure

Physicochemical Descriptors

Cross References