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Details

Stereochemistry ACHIRAL
Molecular Formula C10H9O2.Na
Molecular Weight 184.167
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SODIUM M-METHYL-TRANS-CINNAMATE

SMILES

[Na+].CC1=CC=CC(\C=C\C([O-])=O)=C1

InChI

InChIKey=SXCOLIKBPINAFI-IPZCTEOASA-M
InChI=1S/C10H10O2.Na/c1-8-3-2-4-9(7-8)5-6-10(11)12;/h2-7H,1H3,(H,11,12);/q;+1/p-1/b6-5+;

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H9O2
Molecular Weight 161.1773
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:19:33 GMT 2023
Edited
by admin
on Sat Dec 16 18:19:33 GMT 2023
Record UNII
T3D45AUP3E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM M-METHYL-TRANS-CINNAMATE
Common Name English
SODIUM TRANS-M-METHYLCINNAMATE
Common Name English
2-PROPENOIC ACID, 3-(3-METHYLPHENYL)-, SODIUM SALT, (E)-
Systematic Name English
Code System Code Type Description
PUBCHEM
162625098
Created by admin on Sat Dec 16 18:19:33 GMT 2023 , Edited by admin on Sat Dec 16 18:19:33 GMT 2023
PRIMARY
FDA UNII
T3D45AUP3E
Created by admin on Sat Dec 16 18:19:33 GMT 2023 , Edited by admin on Sat Dec 16 18:19:33 GMT 2023
PRIMARY
CAS
83168-91-6
Created by admin on Sat Dec 16 18:19:33 GMT 2023 , Edited by admin on Sat Dec 16 18:19:33 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE