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Details

Stereochemistry ACHIRAL
Molecular Formula C7H11O4.Na
Molecular Weight 182.1496
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM MONOMETHYL ADIPATE

SMILES

[Na+].COC(=O)CCCCC([O-])=O

InChI

InChIKey=XWMAGYLNUHTFKC-UHFFFAOYSA-M
InChI=1S/C7H12O4.Na/c1-11-7(10)5-3-2-4-6(8)9;/h2-5H2,1H3,(H,8,9);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C7H11O4
Molecular Weight 159.1598
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

PubMed

Substance Class Chemical
Record UNII
IN3YY3XYIK
Record Status Validated (UNII)
Record Version