EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
EPA CompTox	DTXSID20947983

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

EPA CompTox

DTXSID20947983


InChI Key	NXFJXKDZEKNNRK-UHFFFAOYSA-N
Smiles	COC(=O)C(C)=C.O=C1OC(=O)C=C1
InChI	InChI=1S/C5H8O2.C4H2O3/c1-4(2)5(6)7-3;5-3-1-2-4(6)7-3/h1H2,2-3H3;1-2H

InChI Key

NXFJXKDZEKNNRK-UHFFFAOYSA-N

Smiles

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

InChI

InChI=1S/C5H8O2.C4H2O3/c1-4(2)5(6)7-3;5-3-1-2-4(6)7-3/h1H2,2-3H3;1-2H

Property Name	Value
Molecular Formula	C9H10O5
Molecular Weight	198.05
AlogP	0.36
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	1.0
Polar Surface Area	69.67
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C9H10O5

Molecular Weight

198.05

AlogP

0.36

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

1.0

Polar Surface Area

69.67

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	25119-65-7
NORMAN SUSDAT
PubChem	276328

Resources

Reference

CAS NUMBER

25119-65-7

NORMAN SUSDAT

PubChem

276328

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 ANHYDRIDE-METHYLMETHACRYLATE, COPOLYMER

Structure

Physicochemical Descriptors

Cross References