Name: Name:tert-butyl 1-ethynyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
Brand: Angene
SKU: AG00IKTV
Rating: 90 (10 reviews)

tert-butyl 1-ethynyl-3-azabicyclo[3.1.0]hexane-3-carboxylate

CAS No.:

1936077-76-7

Catalog Number:

AG00IKTV

Molecular Formula:

C12H17NO2

Molecular Weight:

207.2689

Catalog Number:

AG00IKTV

Chemical Name:

tert-butyl 1-ethynyl-3-azabicyclo[3.1.0]hexane-3-carboxylate

CAS Number:

1936077-76-7

Molecular Formula:

C12H17NO2

Molecular Weight:

207.2689

IUPAC Name:

tert-butyl 1-ethynyl-3-azabicyclo[3.1.0]hexane-3-carboxylate

InChI:

InChI=1S/C12H17NO2/c1-5-12-6-9(12)7-13(8-12)10(14)15-11(2,3)4/h1,9H,6-8H2,2-4H3

InChI Key:

AGKAYQWMUSFFPK-UHFFFAOYSA-N

SMILES:

C#CC12CN(CC2C1)C(=O)OC(C)(C)C

Complexity:

346

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

207.126g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

207.273g/mol

Monoisotopic Mass:

207.126g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7