6-Oxa-3-azabicyclo[3.1.0]hexane-3-carboxylic acid, phenylmethyl ester


Chemical Name: 6-Oxa-3-azabicyclo[3.1.0]hexane-3-carboxylic acid, phenylmethyl ester
CAS Number: 31865-25-5
Product Number: AG0039P4(AGN-PC-005BVJ)
Synonyms:
MDL No:
Molecular Formula: C12H13NO3
Molecular Weight: 219.2365

Identification/Properties


Computed Properties
Molecular Weight:
219.24g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
219.09g/mol
Monoisotopic Mass:
219.09g/mol
Topological Polar Surface Area:
42.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
265
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
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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