Betonicine

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Catalog Number
ACM515253
Product Name
Betonicine
Structure
Structure
CAS
515-25-3
Category
Heterocyclic Organic Compound
Synonyms
4-Hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate
Molecular Weight
159.18
Molecular Formula
C7H13NO3
InChI
InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6+/m1/s1
InChI Key
MUNWAHDYFVYIKH-RITPCOANSA-N
Melting Point
246-248 °C
Appearance
Off-white Powder
Complexity
173
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Exact Mass
159.08954328
Heavy Atom Count
11
Hydrogen Bond Acceptor Count
3
Hydrogen Bond Donor Count
1
Isomeric SMILES
C[N+]1(C[C@@H](C[C@H]1C(=O)[O-])O)C
Monoisotopic Mass
159.08954328
Physical State
Powder
Rotatable Bond Count
0
Topological Polar Surface Area
60.4 Ų
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