EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
UNII	VOE0XIS78J
EPA CompTox	DTXSID5063572

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

UNII

VOE0XIS78J

EPA CompTox

DTXSID5063572


InChI Key	YOKDQEBPBYOXHX-UHFFFAOYSA-N
Smiles	CC(=C)P(O)(O)=O
InChI	InChI=1S/C3H7O3P/c1-3(2)7(4,5)6/h1H2,2H3,(H2,4,5,6)

InChI Key

YOKDQEBPBYOXHX-UHFFFAOYSA-N

Smiles

CC(=C)P(O)(O)=O

InChI

InChI=1S/C3H7O3P/c1-3(2)7(4,5)6/h1H2,2H3,(H2,4,5,6)

Property Name	Value
Molecular Formula	C3H7O3P
Molecular Weight	122.01
AlogP	0.7
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	57.53
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

C3H7O3P

Molecular Weight

122.01

AlogP

0.7

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

57.53

Heavy Atoms

7.0

Resources	Reference
CAS NUMBER	4721-36-2
NORMAN SUSDAT
FDA SRS	VOE0XIS78J
PubChem	557541

Resources

Reference

CAS NUMBER

4721-36-2

NORMAN SUSDAT

FDA SRS

VOE0XIS78J

PubChem

557541

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

ISOPROPENYLPHOSPHONIC ACID

Structure

Physicochemical Descriptors

Cross References