EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
EPA CompTox	DTXSID20953680

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

EPA CompTox

DTXSID20953680


InChI Key	BHHCZVFCISJWIX-UHFFFAOYSA-N
Smiles	CC(=C)C(=O)OCC1CO1.CC(=C)C(=O)OCCOC(=O)C(C)=C
InChI	InChI=1S/C10H14O4.C7H10O3/c1-7(2)9(11)13-5-6-14-10(12)8(3)4;1-5(2)7(8)10-4-6-3-9-6/h1,3,5-6H2,2,4H3;6H,1,3-4H2,2H3

InChI Key

BHHCZVFCISJWIX-UHFFFAOYSA-N

Smiles

CC(=C)C(=O)OCC1CO1.CC(=C)C(=O)OCCOC(=O)C(C)=C

InChI

InChI=1S/C10H14O4.C7H10O3/c1-7(2)9(11)13-5-6-14-10(12)8(3)4;1-5(2)7(8)10-4-6-3-9-6/h1,3,5-6H2,2,4H3;6H,1,3-4H2,2H3

Property Name	Value
Molecular Formula	C17H24O7
Molecular Weight	340.15
AlogP	1.73
Hydrogen Bond Acceptor	7.0
Number of Rotational Bond	8.0
Polar Surface Area	91.43
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C17H24O7

Molecular Weight

340.15

AlogP

1.73

Hydrogen Bond Acceptor

7.0

Number of Rotational Bond

8.0

Polar Surface Area

91.43

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	31743-77-8
NORMAN SUSDAT
PubChem	3082335

Resources

Reference

CAS NUMBER

31743-77-8

NORMAN SUSDAT

PubChem

3082335

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

2-PROPENOIC ACID, 2-METHYL-, 1,2-ETHANEDIYL ESTER, POLYMER WITH OXIRANYLMETHYL 2-METHYL-2-PROPENOATE

Structure

Physicochemical Descriptors

Cross References