SODIUM ABIETATE

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Keyword(s): Food Contact Chemicals
Molecule Category Salt-form
UNII 0E9Y24M11F
EPA CompTox DTXSID8042399

Structure

InChI Key ITCAUAYQCALGGV-XTICBAGASA-M
Smiles [Na+].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)[O-])[C@H]2CC1
InChI
InChI=1/C20H30O2.Na/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H29NaO2
Molecular Weight 324.21
AlogP 0.88
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 40.13
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 14351-66-7
NORMAN SUSDAT
FDA SRS 0E9Y24M11F
CONTENTS