EcoDrugPlus


Keyword(s):	Indoor Environment Substances ; Plastic additives ; Drinking Water Chemicals ; Food Contact Chemicals ; Surfactants
Molecule Category	Free-form
UNII	91XW058U2C
EPA CompTox	DTXSID8021517

Keyword(s):

Indoor Environment Substances ; Plastic additives ; Drinking Water Chemicals ; Food Contact Chemicals ; Surfactants

Molecule Category

Free-form

UNII

91XW058U2C

EPA CompTox

DTXSID8021517


InChI Key	VZCYOOQTPOCHFL-UPHRSURJSA-N
Smiles	OC(=O)C=C/C(O)=O
InChI	InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-

InChI Key

VZCYOOQTPOCHFL-UPHRSURJSA-N

Smiles

OC(=O)C=C/C(O)=O

InChI

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

Property Name	Value
Molecular Formula	C4H4O4
Molecular Weight	116.01
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	8.0

Property Name

Value

Molecular Formula

C4H4O4

Molecular Weight

116.01

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

8.0

Resources	Reference
CAS NUMBER	110-16-7
NORMAN SUSDAT
FDA SRS	91XW058U2C
PubChem	444266
ChemSpider	392248.0

Resources

Reference

CAS NUMBER

110-16-7

NORMAN SUSDAT

FDA SRS

91XW058U2C

PubChem

444266

ChemSpider

392248.0

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

MALEIC ACID

Structure

Physicochemical Descriptors

Cross References