2-PROPENOIC ACID, ETHYL ESTER, POLYMER WITH SODIUM 2-PROPENOATE

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Keyword(s): Food Contact Chemicals
Molecule Category Salt-form
EPA CompTox DTXSID90949732

Structure

InChI Key QONSVEVJAMATDU-UHFFFAOYSA-M
Smiles [Na+].[O-]C(=O)C=C.CCOC(=O)C=C
InChI
InChI=1S/C5H8O2.C3H4O2.Na/c1-3-5(6)7-4-2;1-2-3(4)5;/h3H,1,4H2,2H3;2H,1H2,(H,4,5);/q;;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H11NaO4
Molecular Weight 194.06
AlogP -3.34
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 66.43
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 26949-30-4
NORMAN SUSDAT
PubChem 23688929
CONTENTS