Name: Name:2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylic acid
Brand: Angene
SKU: AG01C3Q1
Rating: 90 (10 reviews)

2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylic acid

CAS No.:

1909309-94-9

Catalog Number:

AG01C3Q1

Molecular Formula:

C13H19NO4

Molecular Weight:

253.2943

Catalog Number:

AG01C3Q1

Chemical Name:

2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylic acid

CAS Number:

1909309-94-9

Molecular Formula:

C13H19NO4

Molecular Weight:

253.2943

MDL Number:

MFCD29906846

IUPAC Name:

2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylic acid

InChI:

InChI=1S/C13H19NO4/c1-13(2,3)18-12(17)14-7-8-4-5-10(14)9(6-8)11(15)16/h4-5,8-10H,6-7H2,1-3H3,(H,15,16)

InChI Key:

GQCZZFHNRXMYDE-UHFFFAOYSA-N

SMILES:

OC(=O)C1CC2C=CC1N(C2)C(=O)OC(C)(C)C

Complexity:

396

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

253.298g/mol

Monoisotopic Mass:

253.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3