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Details

Stereochemistry ACHIRAL
Molecular Formula C7H14NO2.Cl
Molecular Weight 179.645
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CROTONOBETAINE HYDROCHLORIDE

SMILES

[Cl-].C[N+](C)(C)C\C=C\C(O)=O

InChI

InChIKey=PUKNFWRLBQXPFL-FXRZFVDSSA-N
InChI=1S/C7H13NO2.ClH/c1-8(2,3)6-4-5-7(9)10;/h4-5H,6H2,1-3H3;1H/b5-4+;

HIDE SMILES / InChI

Molecular Formula C7H13NO2
Molecular Weight 143.1836
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
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

Substance Class Chemical
Record UNII
X7E9C9R1UY
Record Status Validated (UNII)
Record Version