EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
EPA CompTox	DTXSID10310248

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

EPA CompTox

DTXSID10310248


InChI Key	BBXFLQCFPROIMX-UHFFFAOYSA-N
Smiles	CCC(=O)OOC(C)(C)C
InChI	InChI=1S/C7H14O3/c1-5-6(8)9-10-7(2,3)4/h5H2,1-4H3

InChI Key

BBXFLQCFPROIMX-UHFFFAOYSA-N

Smiles

CCC(=O)OOC(C)(C)C

InChI

InChI=1S/C7H14O3/c1-5-6(8)9-10-7(2,3)4/h5H2,1-4H3

Property Name	Value
Molecular Formula	C7H14O3
Molecular Weight	146.09
AlogP	1.67
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	35.53
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C7H14O3

Molecular Weight

146.09

AlogP

1.67

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

35.53

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	14206-05-4
NORMAN SUSDAT
PubChem	312710

Resources

Reference

CAS NUMBER

14206-05-4

NORMAN SUSDAT

PubChem

312710

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

TERT.BUTYL PEROXY PROPIONATE

Structure

Physicochemical Descriptors

Cross References