EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
EPA CompTox	DTXSID10181197

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

EPA CompTox

DTXSID10181197


InChI Key	JPZROSNLRWHSQQ-UHFFFAOYSA-N
Smiles	OC(=O)C=C.O=C1OC(=O)C=C1
InChI	InChI=1S/C4H2O3.C3H4O2/c5-3-1-2-4(6)7-3;1-2-3(4)5/h1-2H;2H,1H2,(H,4,5)

InChI Key

JPZROSNLRWHSQQ-UHFFFAOYSA-N

Smiles

OC(=O)C=C.O=C1OC(=O)C=C1

InChI

InChI=1S/C4H2O3.C3H4O2/c5-3-1-2-4(6)7-3;1-2-3(4)5/h1-2H;2H,1H2,(H,4,5)

Property Name	Value
Molecular Formula	C7H6O5
Molecular Weight	170.02
AlogP	-0.12
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	80.67
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C7H6O5

Molecular Weight

170.02

AlogP

-0.12

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

80.67

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	26677-99-6
NORMAN SUSDAT
PubChem	213542

Resources

Reference

CAS NUMBER

26677-99-6

NORMAN SUSDAT

PubChem

213542

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

ACRYLIC ACID-MALEIC ACID, COPOLYMER

Structure

Physicochemical Descriptors

Cross References