EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form
UNII	VD906S8V0I
EPA CompTox	DTXSID001337577

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form

UNII

VD906S8V0I

EPA CompTox

DTXSID001337577


InChI Key	HDRTWMBOUSPQON-TYYBGVCCSA-L
Smiles	[Ca++].[O-]C(=O)C=CC([O-])=O
InChI	InChI=1S/C4H4O4.Ca/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/p-2/b2-1+;

InChI Key

HDRTWMBOUSPQON-TYYBGVCCSA-L

Smiles

[Ca++].[O-]C(=O)C=CC([O-])=O

InChI

InChI=1S/C4H4O4.Ca/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/p-2/b2-1+;

Property Name	Value
Molecular Formula	C4H2CaO4
Molecular Weight	153.96
AlogP	-3.34
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	2.0
Polar Surface Area	80.26
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C4H2CaO4

Molecular Weight

153.96

AlogP

-3.34

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

2.0

Polar Surface Area

80.26

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	19855-56-2
NORMAN SUSDAT
FDA SRS	VD906S8V0I
PubChem	6433512

Resources

Reference

CAS NUMBER

19855-56-2

NORMAN SUSDAT

FDA SRS

VD906S8V0I

PubChem

6433512

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

CALCIUM FUMARATE

Structure

Physicochemical Descriptors

Cross References