EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form


InChI Key	PKMTWMDBJHRDBM-ODZAUARKSA-N
Smiles	C(=CC(=O)O)C(=O)O.[Zn]
InChI	InChI=1S/C4H4O4.Zn/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/b2-1-;

InChI Key

PKMTWMDBJHRDBM-ODZAUARKSA-N

Smiles

C(=CC(=O)O)C(=O)O.[Zn]

InChI

InChI=1S/C4H4O4.Zn/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/b2-1-;

Property Name	Value
Molecular Formula	C4H4O4Zn
Molecular Weight	179.94
AlogP	-0.29
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	74.6
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C4H4O4Zn

Molecular Weight

179.94

AlogP

-0.29

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

74.6

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	7344-42-5
NORMAN SUSDAT
PubChem	59038281

Resources

Reference

CAS NUMBER

7344-42-5

NORMAN SUSDAT

PubChem

59038281


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).

ZINC MALEATE

Structure

Physicochemical Descriptors

Cross References