EcoDrugPlus


Keyword(s):	Plastic additives ; Food Contact Chemicals
Molecule Category	Free-form
UNII	D9UXG2U6ZU
EPA CompTox	DTXSID8044466

Keyword(s):

Plastic additives ; Food Contact Chemicals

Molecule Category

Free-form

UNII

D9UXG2U6ZU

EPA CompTox

DTXSID8044466


InChI Key	CYIDZMCFTVVTJO-UHFFFAOYSA-N
Smiles	OC(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(O)=O
InChI	InChI=1S/C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)

InChI Key

CYIDZMCFTVVTJO-UHFFFAOYSA-N

Smiles

OC(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(O)=O

InChI

InChI=1S/C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)

Property Name	Value
Molecular Formula	C10H6O8
Molecular Weight	254.01
AlogP	0.48
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	4.0
Polar Surface Area	149.2
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C10H6O8

Molecular Weight

254.01

AlogP

0.48

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

4.0

Polar Surface Area

149.2

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	89-05-4
NORMAN SUSDAT
FDA SRS	D9UXG2U6ZU
PubChem	6961
ChemSpider	6695.0

Resources

Reference

CAS NUMBER

89-05-4

NORMAN SUSDAT

FDA SRS

D9UXG2U6ZU

PubChem

6961

ChemSpider

6695.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 23^rd March 2026

PYROMELLITIC ACID

Structure

Physicochemical Descriptors

Cross References