Name: Name:2-benzoyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
Brand: Angene
SKU: AG01B2FK
Rating: 90 (10 reviews)

2-benzoyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid

CAS No.:

1909336-08-8

Catalog Number:

AG01B2FK

Molecular Formula:

C13H13NO3

Molecular Weight:

231.2472

Catalog Number:

AG01B2FK

Chemical Name:

2-benzoyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid

CAS Number:

1909336-08-8

Molecular Formula:

C13H13NO3

Molecular Weight:

231.2472

MDL Number:

MFCD29907409

IUPAC Name:

2-benzoyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid

InChI:

InChI=1S/C13H13NO3/c15-11(10-4-2-1-3-5-10)14-8-9-6-13(14,7-9)12(16)17/h1-5,9H,6-8H2,(H,16,17)

InChI Key:

JNYOJLXLGJTEEB-UHFFFAOYSA-N

SMILES:

O=C(N1CC2CC1(C2)C(=O)O)c1ccccc1

Complexity:

354

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.251g/mol

Monoisotopic Mass:

231.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4