1-(1,3-dioxaindane-5-carbonyl)pyrrolidine-2-carboxylic acid


Chemical Name: 1-(1,3-dioxaindane-5-carbonyl)pyrrolidine-2-carboxylic acid
CAS Number: 142962-04-7
Product Number: AG01DUCB(AG01DUCB)
Synonyms:
MDL No:
Molecular Formula: C13H13NO5
Molecular Weight: 263.2460

Identification/Properties


Computed Properties
Molecular Weight:
263.249g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
263.079g/mol
Monoisotopic Mass:
263.079g/mol
Topological Polar Surface Area:
76.1A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
385
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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