EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	6ZJ2JI8QNC
EPA CompTox	DTXSID3064190

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

6ZJ2JI8QNC

EPA CompTox

DTXSID3064190


InChI Key	IIISLCMALFIFKE-UHFFFAOYSA-N
Smiles	CC(C)OC(=O)c1ccco1
InChI	InChI=1S/C8H10O3/c1-6(2)11-8(9)7-4-3-5-10-7/h3-6H,1-2H3

InChI Key

IIISLCMALFIFKE-UHFFFAOYSA-N

Smiles

CC(C)OC(=O)c1ccco1

InChI

InChI=1S/C8H10O3/c1-6(2)11-8(9)7-4-3-5-10-7/h3-6H,1-2H3

Property Name	Value
Molecular Formula	C8H10O3
Molecular Weight	154.06
AlogP	1.84
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	39.44
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C8H10O3

Molecular Weight

154.06

AlogP

1.84

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

39.44

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	6270-34-4
NORMAN SUSDAT
FDA SRS	6ZJ2JI8QNC
PubChem	80452
ChemSpider	72663.0

Resources

Reference

CAS NUMBER

6270-34-4

NORMAN SUSDAT

FDA SRS

6ZJ2JI8QNC

PubChem

80452

ChemSpider

72663.0

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...

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Last update: Monday, 3 November 2025

2-FURANCARBOXYLIC ACID, 1-METHYLETHYL ESTER

Structure

Physicochemical Descriptors

Cross References